N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H28F2N4O — CID 4770680

IUPACN-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1
InChIInChI=1S/C21H28F2N4O/c1-21(2,3)13-6-8-14(9-7-13)25-20(28)15-11-24-27-17(18(22)23)10-16(12-4-5-12)26-19(15)27/h10-14,18H,4-9H2,1-3H3,(H,25,28)
InChIKeyFIIXSNYPFFTIOQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.88
Rot. Bonds4

About N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4770680) has the molecular formula C21H28F2N4O and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4770680
Molecular FormulaC21H28F2N4O
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC NameN-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1
InChIInChI=1S/C21H28F2N4O/c1-21(2,3)13-6-8-14(9-7-13)25-20(28)15-11-24-27-17(18(22)23)10-16(12-4-5-12)26-19(15)27/h10-14,18H,4-9H2,1-3H3,(H,25,28)
InChIKeyFIIXSNYPFFTIOQ-UHFFFAOYSA-N
XLogP4.88
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4770680) is N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(C)C1CCC(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FIIXSNYPFFTIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N4O/c1-21(2,3)13-6-8-14(9-7-13)25-20(28)15-11-24-27-17(18(22)23)10-16(12-4-5-12)26-19(15)27/h10-14,18H,4-9H2,1-3H3,(H,25,28).
What are the key properties of N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4770680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).