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

C23H30F2N4O — CID 997027

IUPACN,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H30F2N4O/c24-21(25)20-13-19(15-11-12-15)27-22-18(14-26-29(20)22)23(30)28(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h13-17,21H,1-12H2
InChIKeyCAYMEBJLXPDPKM-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.65
Rot. Bonds5

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

N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 997027) has the molecular formula C23H30F2N4O and a molecular weight of 416.52 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID997027
Molecular FormulaC23H30F2N4O
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H30F2N4O/c24-21(25)20-13-19(15-11-12-15)27-22-18(14-26-29(20)22)23(30)28(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h13-17,21H,1-12H2
InChIKeyCAYMEBJLXPDPKM-UHFFFAOYSA-N
XLogP5.65
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 997027) is N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CAYMEBJLXPDPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O/c24-21(25)20-13-19(15-11-12-15)27-22-18(14-26-29(20)22)23(30)28(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h13-17,21H,1-12H2.
What are the key properties of N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 997027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).