N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H18N4O3S — CID 74242766

IUPACN-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CS(=O)(=O)CCNC(=O)c1cc2ncccn2n1
InChIInChI=1S/C13H18N4O3S/c1-10(2)9-21(19,20)7-5-15-13(18)11-8-12-14-4-3-6-17(12)16-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,18)
InChIKeyHPZYPNQETSCIMH-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.53
Rot. Bonds6

About N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 74242766) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID74242766
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CS(=O)(=O)CCNC(=O)c1cc2ncccn2n1
InChIInChI=1S/C13H18N4O3S/c1-10(2)9-21(19,20)7-5-15-13(18)11-8-12-14-4-3-6-17(12)16-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,18)
InChIKeyHPZYPNQETSCIMH-UHFFFAOYSA-N
XLogP0.53
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440221
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124757330
N-[4-(1,2,4-triazol-1-yl)cyclohexyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 176501532
(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679658
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416861
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416844
methyl 3-chloro-6-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)-1-benzothiophene-2-carboxylate
CID 19440279
N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 138031289
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 126821301
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 74242766) is N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)CS(=O)(=O)CCNC(=O)c1cc2ncccn2n1.
What is the InChIKey of N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HPZYPNQETSCIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-10(2)9-21(19,20)7-5-15-13(18)11-8-12-14-4-3-6-17(12)16-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 74242766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).