6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C12H11BrN6O — CID 4775968

IUPAC6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2cc3ncc(Br)cn3n2)n1
InChIInChI=1S/C12H11BrN6O/c1-18-3-2-9(16-18)6-15-12(20)10-4-11-14-5-8(13)7-19(11)17-10/h2-5,7H,6H2,1H3,(H,15,20)
InChIKeyPSVAJXPMGLSGCT-UHFFFAOYSA-N
MW335.17 g/mol
LogP1.16
Rot. Bonds3

About 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4775968) has the molecular formula C12H11BrN6O and a molecular weight of 335.17 g/mol. Its IUPAC name is 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4775968
Molecular FormulaC12H11BrN6O
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC Name6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2cc3ncc(Br)cn3n2)n1
InChIInChI=1S/C12H11BrN6O/c1-18-3-2-9(16-18)6-15-12(20)10-4-11-14-5-8(13)7-19(11)17-10/h2-5,7H,6H2,1H3,(H,15,20)
InChIKeyPSVAJXPMGLSGCT-UHFFFAOYSA-N
XLogP1.16
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10155765, Example 31
CID 121493987
6-(6-Bromo-pyrazolo[1,5-a]pyrimidine-2-carbonyl)-3,4,5,6,7,8-hexahydro-thiazolo[4,5-d]azepin-2-one
CID 71748063
6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094293
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
3,6-dibromo-N-butylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094294
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-N,1-dimethylpyrazole-5-carboxamide
CID 165414964
3-chloro-N-(4-cyano-2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256253
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
3,6-dibromo-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733312

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4775968) is 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1ccc(CNC(=O)c2cc3ncc(Br)cn3n2)n1.
What is the InChIKey of 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PSVAJXPMGLSGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6O/c1-18-3-2-9(16-18)6-15-12(20)10-4-11-14-5-8(13)7-19(11)17-10/h2-5,7H,6H2,1H3,(H,15,20).
What are the key properties of 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 335.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4775968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).