N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H20N6O — CID 19440629

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(CNC(=O)c2cnn3c(C)cc(C)nc23)c(C)n1
InChIInChI=1S/C16H20N6O/c1-5-21-9-13(12(4)20-21)7-17-16(23)14-8-18-22-11(3)6-10(2)19-15(14)22/h6,8-9H,5,7H2,1-4H3,(H,17,23)
InChIKeyXSEMBMFUBSCMSW-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.80
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440629) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440629
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(CNC(=O)c2cnn3c(C)cc(C)nc23)c(C)n1
InChIInChI=1S/C16H20N6O/c1-5-21-9-13(12(4)20-21)7-17-16(23)14-8-18-22-11(3)6-10(2)19-15(14)22/h6,8-9H,5,7H2,1-4H3,(H,17,23)
InChIKeyXSEMBMFUBSCMSW-UHFFFAOYSA-N
XLogP1.80
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239036
N-[2-(diethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440824
5,7-dimethyl-N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 37400763
5,7-dimethyl-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166424465
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methylamino]-2-oxoacetate
CID 110481840
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
5,7-dimethyl-N-[[2-methyl-4-(1,3-oxazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164780512
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171584
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 103825011
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
5,7-dimethyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49396849
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440629) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(CNC(=O)c2cnn3c(C)cc(C)nc23)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XSEMBMFUBSCMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-5-21-9-13(12(4)20-21)7-17-16(23)14-8-18-22-11(3)6-10(2)19-15(14)22/h6,8-9H,5,7H2,1-4H3,(H,17,23).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).