N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H22F2N6O — CID 17060254

IUPACN-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCn1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)cn1
InChIInChI=1S/C22H22F2N6O/c1-3-4-9-29-13-16(11-25-29)27-22(31)17-12-26-30-19(20(23)24)10-18(28-21(17)30)15-7-5-14(2)6-8-15/h5-8,10-13,20H,3-4,9H2,1-2H3,(H,27,31)
InChIKeyONLSPKPKYDHVAD-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.89
Rot. Bonds7

About N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 17060254) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID17060254
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC NameN-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCn1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)cn1
InChIInChI=1S/C22H22F2N6O/c1-3-4-9-29-13-16(11-25-29)27-22(31)17-12-26-30-19(20(23)24)10-18(28-21(17)30)15-7-5-14(2)6-8-15/h5-8,10-13,20H,3-4,9H2,1-2H3,(H,27,31)
InChIKeyONLSPKPKYDHVAD-UHFFFAOYSA-N
XLogP4.89
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(difluoromethyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460112
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525
7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094025
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995554
7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2169020
N-[4-(azepan-1-ylsulfonyl)phenyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995458
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460043
7-(difluoromethyl)-N-(3-hydroxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447322
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995519

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 17060254) is N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCn1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)cn1.
What is the InChIKey of N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ONLSPKPKYDHVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-3-4-9-29-13-16(11-25-29)27-22(31)17-12-26-30-19(20(23)24)10-18(28-21(17)30)15-7-5-14(2)6-8-15/h5-8,10-13,20H,3-4,9H2,1-2H3,(H,27,31).
What are the key properties of N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 17060254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).