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

C22H22F2N6O — CID 1094025

IUPAC7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1ncc(CNC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1C
InChIInChI=1S/C22H22F2N6O/c1-4-29-14(3)16(11-26-29)10-25-22(31)17-12-27-30-19(20(23)24)9-18(28-21(17)30)15-7-5-13(2)6-8-15/h5-9,11-12,20H,4,10H2,1-3H3,(H,25,31)
InChIKeyHKWAKYDYRINXSB-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.10
Rot. Bonds6

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

7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1094025) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1094025
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1ncc(CNC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1C
InChIInChI=1S/C22H22F2N6O/c1-4-29-14(3)16(11-26-29)10-25-22(31)17-12-27-30-19(20(23)24)9-18(28-21(17)30)15-7-5-13(2)6-8-15/h5-9,11-12,20H,4,10H2,1-3H3,(H,25,31)
InChIKeyHKWAKYDYRINXSB-UHFFFAOYSA-N
XLogP4.10
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19290540
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
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
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17060254
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19296631
7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2169020
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
2-(3,4-dimethylphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-methylquinoline-4-carboxamide
CID 17375096
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459938

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1094025) is 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1ncc(CNC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1C.
What is the InChIKey of 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HKWAKYDYRINXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-4-29-14(3)16(11-26-29)10-25-22(31)17-12-27-30-19(20(23)24)9-18(28-21(17)30)15-7-5-13(2)6-8-15/h5-9,11-12,20H,4,10H2,1-3H3,(H,25,31).
What are the key properties of 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1094025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).