N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide

C16H16N6O3S — CID 70274596

IUPACN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)c3ccn[nH]3)cc2)n1
InChIInChI=1S/C16H16N6O3S/c1-26(24,25)9-12-8-14(17)21-15(19-12)10-2-4-11(5-3-10)20-16(23)13-6-7-18-22-13/h2-8H,9H2,1H3,(H,18,22)(H,20,23)(H2,17,19,21)
InChIKeyYTNFZMQEUMRNID-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.25
Rot. Bonds5

About N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide

N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 70274596) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID70274596
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)c3ccn[nH]3)cc2)n1
InChIInChI=1S/C16H16N6O3S/c1-26(24,25)9-12-8-14(17)21-15(19-12)10-2-4-11(5-3-10)20-16(23)13-6-7-18-22-13/h2-8H,9H2,1H3,(H,18,22)(H,20,23)(H2,17,19,21)
InChIKeyYTNFZMQEUMRNID-UHFFFAOYSA-N
XLogP1.25
TPSA143.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Ex. Cpd. 15
CID 134164061
4-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 118947349
3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 118947412
3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 118947462
N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118947481
Ex. Cpd. 16
CID 134164063
1-(3-phenyl-1H-pyrazole-5-carbonyl)-N-pyrimidin-2-yl-2,3,3a,7a-tetrahydroindole-5-sulfonamide
CID 137647070
Bmpr2-IN-1
CID 168475951
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 172445428
6-Methyl-2,4,8,10,11,14,23-heptazatetracyclo[15.2.2.13,7.19,12]tricosa-1(19),3,5,7(23),9,12(22),17,20-octaen-13-one
CID 177381408
N-(4-Ethylphenyl)-7-methylpyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040773
7-Ethyl-N-(4-methylphenyl)pyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040786

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide (CID 70274596) is N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide is CS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)c3ccn[nH]3)cc2)n1.
What is the InChIKey of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YTNFZMQEUMRNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-26(24,25)9-12-8-14(17)21-15(19-12)10-2-4-11(5-3-10)20-16(23)13-6-7-18-22-13/h2-8H,9H2,1H3,(H,18,22)(H,20,23)(H2,17,19,21).
What are the key properties of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide?
N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70274596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).