4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

C12H15BrN4O — CID 71994745

IUPAC4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCCc1cc(CNC(=O)c2cc(Br)cn2C)[nH]n1
InChIInChI=1S/C12H15BrN4O/c1-3-9-5-10(16-15-9)6-14-12(18)11-4-8(13)7-17(11)2/h4-5,7H,3,6H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyCMJACRXVEQRJDH-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.00
Rot. Bonds4

About 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 71994745) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID71994745
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCCc1cc(CNC(=O)c2cc(Br)cn2C)[nH]n1
InChIInChI=1S/C12H15BrN4O/c1-3-9-5-10(16-15-9)6-14-12(18)11-4-8(13)7-17(11)2/h4-5,7H,3,6H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyCMJACRXVEQRJDH-UHFFFAOYSA-N
XLogP2.00
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 113231385
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 81090225
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
4-bromo-1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693723
4-bromo-N-(3-ethoxypropyl)-1-methylpyrrole-2-carboxamide
CID 43411143
4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide
CID 55171880
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063480
4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169
4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
CID 42938791
4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 113456488

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide (CID 71994745) is 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide is CCc1cc(CNC(=O)c2cc(Br)cn2C)[nH]n1.
What is the InChIKey of 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is CMJACRXVEQRJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-3-9-5-10(16-15-9)6-14-12(18)11-4-8(13)7-17(11)2/h4-5,7H,3,6H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71994745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).