N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C19H25N7O3 — CID 91785014

IUPACN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2cc(C)n3nc(C)cc3n2)C1
InChIInChI=1S/C19H25N7O3/c1-11-6-16-21-15(7-12(2)26(16)24-11)19(28)20-14-8-13(9-14)18-23-22-17(10-27)25(18)4-5-29-3/h6-7,13-14,27H,4-5,8-10H2,1-3H3,(H,20,28)
InChIKeyIGKIBSKDPKNVJN-UHFFFAOYSA-N
MW399.46 g/mol
LogP0.75
Rot. Bonds7

About N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 91785014) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID91785014
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2cc(C)n3nc(C)cc3n2)C1
InChIInChI=1S/C19H25N7O3/c1-11-6-16-21-15(7-12(2)26(16)24-11)19(28)20-14-8-13(9-14)18-23-22-17(10-27)25(18)4-5-29-3/h6-7,13-14,27H,4-5,8-10H2,1-3H3,(H,20,28)
InChIKeyIGKIBSKDPKNVJN-UHFFFAOYSA-N
XLogP0.75
TPSA119.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dimethyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56752808
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 50975439
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74241193
6-[(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)carbonyl]-2-(2-hydroxyethyl)-1,2,4,5,6,7-hexahydro-3H-pyrazolo[3,4-c]pyridin-3-one
CID 77081135
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 95727518
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 99933795
(3S)-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carbonyl)-3-ethyl-1,4-diazepan-2-one
CID 136587011
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 138023747
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide
CID 164633812
N-(2-hydroxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449340
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449424
N-(2-methoxyethyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449489

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 91785014) is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)c2cc(C)n3nc(C)cc3n2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is IGKIBSKDPKNVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-11-6-16-21-15(7-12(2)26(16)24-11)19(28)20-14-8-13(9-14)18-23-22-17(10-27)25(18)4-5-29-3/h6-7,13-14,27H,4-5,8-10H2,1-3H3,(H,20,28).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 91785014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).