5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H25F2N5O — CID 58063413

IUPAC5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cnn2ccc(NC3CCCCC3)nc12
InChIInChI=1S/C19H25F2N5O/c20-19(21)9-6-14(7-10-19)24-18(27)15-12-22-26-11-8-16(25-17(15)26)23-13-4-2-1-3-5-13/h8,11-14H,1-7,9-10H2,(H,23,25)(H,24,27)
InChIKeyQBBSTJRFOWFZNW-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.78
Rot. Bonds4

About 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063413) has the molecular formula C19H25F2N5O and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063413
Molecular FormulaC19H25F2N5O
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cnn2ccc(NC3CCCCC3)nc12
InChIInChI=1S/C19H25F2N5O/c20-19(21)9-6-14(7-10-19)24-18(27)15-12-22-26-11-8-16(25-17(15)26)23-13-4-2-1-3-5-13/h8,11-14H,1-7,9-10H2,(H,23,25)(H,24,27)
InChIKeyQBBSTJRFOWFZNW-UHFFFAOYSA-N
XLogP3.78
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,4-difluorocyclohexyl)-5-[(4-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063436
N-(4,4-difluorocyclohexyl)-5-(2,3-dihydro-1H-inden-1-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063058
N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063469
N-(4,4-difluorocyclohexyl)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162543572
N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063059
N-cyclohexyl-5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063267
5-(2,3-dihydro-1H-inden-2-ylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063497
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542280
5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063050
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719
N-[4-(cyclohexylcarbamoyl)cyclohexyl]-5-[[2-methyl-5-(methylideneamino)penta-2,4-dienyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91358829

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063413) is 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC(F)(F)CC1)c1cnn2ccc(NC3CCCCC3)nc12.
What is the InChIKey of 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QBBSTJRFOWFZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O/c20-19(21)9-6-14(7-10-19)24-18(27)15-12-22-26-11-8-16(25-17(15)26)23-13-4-2-1-3-5-13/h8,11-14H,1-7,9-10H2,(H,23,25)(H,24,27).
What are the key properties of 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).