3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H16BrN9O2 — CID 19462308

IUPAC3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(NC(=O)c2c(NC(=O)c3nn4cccnc4c3Br)cnn2C)cnn1C
InChIInChI=1S/C17H16BrN9O2/c1-9-10(7-20-25(9)2)22-17(29)14-11(8-21-26(14)3)23-16(28)13-12(18)15-19-5-4-6-27(15)24-13/h4-8H,1-3H3,(H,22,29)(H,23,28)
InChIKeyXWRHDKXKFUDXKQ-UHFFFAOYSA-N
MW458.28 g/mol
LogP1.77
Rot. Bonds4

About 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462308) has the molecular formula C17H16BrN9O2 and a molecular weight of 458.28 g/mol. Its IUPAC name is 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462308
Molecular FormulaC17H16BrN9O2
Molecular Weight458.28 g/mol
Exact Mass457.06
IUPAC Name3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1c(NC(=O)c2c(NC(=O)c3nn4cccnc4c3Br)cnn2C)cnn1C
InChIInChI=1S/C17H16BrN9O2/c1-9-10(7-20-25(9)2)22-17(29)14-11(8-21-26(14)3)23-16(28)13-12(18)15-19-5-4-6-27(15)24-13/h4-8H,1-3H3,(H,22,29)(H,23,28)
InChIKeyXWRHDKXKFUDXKQ-UHFFFAOYSA-N
XLogP1.77
TPSA124.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462092
3-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241864
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
3-bromo-N-(4-methyl-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462088
3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462119
3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462067
3-bromo-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146145687
3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462073
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462110
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
diethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19462076
3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462344

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462308) is 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1c(NC(=O)c2c(NC(=O)c3nn4cccnc4c3Br)cnn2C)cnn1C.
What is the InChIKey of 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XWRHDKXKFUDXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN9O2/c1-9-10(7-20-25(9)2)22-17(29)14-11(8-21-26(14)3)23-16(28)13-12(18)15-19-5-4-6-27(15)24-13/h4-8H,1-3H3,(H,22,29)(H,23,28).
What are the key properties of 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 458.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).