4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide

C12H18BrN3O2 — CID 95144939

IUPAC4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOC[C@H](C)N(C)C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C12H18BrN3O2/c1-7(6-18-3)16(2)12(17)11-9(13)10(14-15-11)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKeyYIIAWRJCZZMOLL-ZETCQYMHSA-N
MW316.20 g/mol
LogP2.16
Rot. Bonds5

About 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide

4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 95144939) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID95144939
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCOC[C@H](C)N(C)C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C12H18BrN3O2/c1-7(6-18-3)16(2)12(17)11-9(13)10(14-15-11)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKeyYIIAWRJCZZMOLL-ZETCQYMHSA-N
XLogP2.16
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
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4-amino-5-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
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N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide (CID 95144939) is 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide is COC[C@H](C)N(C)C(=O)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is YIIAWRJCZZMOLL-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-7(6-18-3)16(2)12(17)11-9(13)10(14-15-11)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,14,15)/t7-/m0/s1.
What are the key properties of 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide?
4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 316.20 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95144939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).