N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20F2N6O — CID 123262056

IUPACN-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(c1[nH]ncc1NC(=O)c1cnn2cccnc12)C1CCCC(F)(F)C1
InChIInChI=1S/C18H20F2N6O/c1-11(12-4-2-5-18(19,20)8-12)15-14(10-22-25-15)24-17(27)13-9-23-26-7-3-6-21-16(13)26/h3,6-7,9-12H,2,4-5,8H2,1H3,(H,22,25)(H,24,27)
InChIKeyVQBXSNOMYYIKBW-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.63
Rot. Bonds4

About N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123262056) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123262056
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC NameN-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(c1[nH]ncc1NC(=O)c1cnn2cccnc12)C1CCCC(F)(F)C1
InChIInChI=1S/C18H20F2N6O/c1-11(12-4-2-5-18(19,20)8-12)15-14(10-22-25-15)24-17(27)13-9-23-26-7-3-6-21-16(13)26/h3,6-7,9-12H,2,4-5,8H2,1H3,(H,22,25)(H,24,27)
InChIKeyVQBXSNOMYYIKBW-UHFFFAOYSA-N
XLogP3.63
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-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-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
5-amino-N-[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063100
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181631
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181643
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196169
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196173
N-(4-sec-butylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2946351
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-5-(piperidin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624602
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(2-piperidin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624603
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5-cyclopropyl-7-(difluoromethyl)-N-3-pyridinylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1257401
5-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063146

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123262056) is N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(c1[nH]ncc1NC(=O)c1cnn2cccnc12)C1CCCC(F)(F)C1.
What is the InChIKey of N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VQBXSNOMYYIKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O/c1-11(12-4-2-5-18(19,20)8-12)15-14(10-22-25-15)24-17(27)13-9-23-26-7-3-6-21-16(13)26/h3,6-7,9-12H,2,4-5,8H2,1H3,(H,22,25)(H,24,27).
What are the key properties of N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(3,3-difluorocyclohexyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123262056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).