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

C15H18F2N4O — CID 138004643

IUPACN-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnn2cccnc12)C1CCC(F)(F)CC1
InChIInChI=1S/C15H18F2N4O/c1-10(11-3-5-15(16,17)6-4-11)20-14(22)12-9-19-21-8-2-7-18-13(12)21/h2,7-11H,3-6H2,1H3,(H,20,22)
InChIKeyGBNPNAKGTLPJAP-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.67
Rot. Bonds3

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

N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 138004643) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID138004643
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1cnn2cccnc12)C1CCC(F)(F)CC1
InChIInChI=1S/C15H18F2N4O/c1-10(11-3-5-15(16,17)6-4-11)20-14(22)12-9-19-21-8-2-7-18-13(12)21/h2,7-11H,3-6H2,1H3,(H,20,22)
InChIKeyGBNPNAKGTLPJAP-UHFFFAOYSA-N
XLogP2.67
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 138004643) is N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1cnn2cccnc12)C1CCC(F)(F)CC1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GBNPNAKGTLPJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-10(11-3-5-15(16,17)6-4-11)20-14(22)12-9-19-21-8-2-7-18-13(12)21/h2,7-11H,3-6H2,1H3,(H,20,22).
What are the key properties of N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 138004643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).