N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H24F2N6O — CID 166704624

IUPACN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)C1CCC(n2cc(NC(=O)c3cc4ncccn4n3)c(C(F)F)n2)CC1
InChIInChI=1S/C20H24F2N6O/c1-12(2)13-4-6-14(7-5-13)28-11-16(18(26-28)19(21)22)24-20(29)15-10-17-23-8-3-9-27(17)25-15/h3,8-14,19H,4-7H2,1-2H3,(H,24,29)
InChIKeyAVETXKDDYXIMLH-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.50
Rot. Bonds5

About N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 166704624) has the molecular formula C20H24F2N6O and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID166704624
Molecular FormulaC20H24F2N6O
Molecular Weight402.45 g/mol
Exact Mass402.20
IUPAC NameN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)C1CCC(n2cc(NC(=O)c3cc4ncccn4n3)c(C(F)F)n2)CC1
InChIInChI=1S/C20H24F2N6O/c1-12(2)13-4-6-14(7-5-13)28-11-16(18(26-28)19(21)22)24-20(29)15-10-17-23-8-3-9-27(17)25-15/h3,8-14,19H,4-7H2,1-2H3,(H,24,29)
InChIKeyAVETXKDDYXIMLH-UHFFFAOYSA-N
XLogP4.50
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 166704624) is N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)C1CCC(n2cc(NC(=O)c3cc4ncccn4n3)c(C(F)F)n2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AVETXKDDYXIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6O/c1-12(2)13-4-6-14(7-5-13)28-11-16(18(26-28)19(21)22)24-20(29)15-10-17-23-8-3-9-27(17)25-15/h3,8-14,19H,4-7H2,1-2H3,(H,24,29).
What are the key properties of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166704624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).