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

C26H31N7O3S — CID 66554755

IUPACN-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C26H31N7O3S/c1-3-4-16-37(35,36)31-14-10-20(11-15-31)23-17-24(33(30-23)21-8-6-19(2)7-9-21)29-26(34)22-18-28-32-13-5-12-27-25(22)32/h5-9,12-13,17-18,20H,3-4,10-11,14-16H2,1-2H3,(H,29,34)
InChIKeyQVNZMZGCXVNCDU-UHFFFAOYSA-N
MW521.65 g/mol
LogP3.79
Rot. Bonds8

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

N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554755) has the molecular formula C26H31N7O3S and a molecular weight of 521.65 g/mol. Its IUPAC name is N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554755
Molecular FormulaC26H31N7O3S
Molecular Weight521.65 g/mol
Exact Mass521.22
IUPAC NameN-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C26H31N7O3S/c1-3-4-16-37(35,36)31-14-10-20(11-15-31)23-17-24(33(30-23)21-8-6-19(2)7-9-21)29-26(34)22-18-28-32-13-5-12-27-25(22)32/h5-9,12-13,17-18,20H,3-4,10-11,14-16H2,1-2H3,(H,29,34)
InChIKeyQVNZMZGCXVNCDU-UHFFFAOYSA-N
XLogP3.79
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.65
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 66556798
N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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CID 90272262
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
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CID 90272238
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-[1-(4-methylphenyl)-3-[1-[[6-(trifluoromethyl)-2-pyridinyl]sulfinyl]piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[1-(5-formyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554755) is N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCS(=O)(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QVNZMZGCXVNCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3S/c1-3-4-16-37(35,36)31-14-10-20(11-15-31)23-17-24(33(30-23)21-8-6-19(2)7-9-21)29-26(34)22-18-28-32-13-5-12-27-25(22)32/h5-9,12-13,17-18,20H,3-4,10-11,14-16H2,1-2H3,(H,29,34).
What are the key properties of N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 521.65 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).