N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25N7O2 — CID 66554926

IUPACN-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C24H25N7O2/c1-16-4-6-19(7-5-16)31-22(14-21(28-31)18-8-12-29(13-9-18)17(2)32)27-24(33)20-15-26-30-11-3-10-25-23(20)30/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,27,33)
InChIKeyBUFHCWTZVIARBW-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.20
Rot. Bonds4

About N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554926) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554926
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C24H25N7O2/c1-16-4-6-19(7-5-16)31-22(14-21(28-31)18-8-12-29(13-9-18)17(2)32)27-24(33)20-15-26-30-11-3-10-25-23(20)30/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,27,33)
InChIKeyBUFHCWTZVIARBW-UHFFFAOYSA-N
XLogP3.20
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[4-[1-(4-methylphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidin-1-yl]azetidine-1-carboxylate
CID 90272138
N-[3-[1-(2-aminophenyl)sulfanylpiperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 88951221
N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554755
N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556798
N-[3-[1-(3-fluorophenyl)sulfinylpiperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrate
CID 162336563
N-[3-[1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90272235
N-[1-(4-methylphenyl)-3-[1-(pyrimidin-5-ylmethyl)azetidin-3-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90272238
N-[1-(4-methylphenyl)-3-[1-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90272262
N-[1-(4-methylphenyl)-3-[1-[[6-(trifluoromethyl)-2-pyridinyl]sulfinyl]piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90275627
N-[1-(4-cyanophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554751
N-[3-[1-[[4-(aminomethyl)-3-formylphenyl]methyl]piperidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 88951243
N-[3-(3-methoxy-4-methylphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90275543

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554926) is N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BUFHCWTZVIARBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-16-4-6-19(7-5-16)31-22(14-21(28-31)18-8-12-29(13-9-18)17(2)32)27-24(33)20-15-26-30-11-3-10-25-23(20)30/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,27,33).
What are the key properties of N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).