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

C10H12BrN5O — CID 19515350

IUPAC4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)c1[nH]ncc1Br
InChIInChI=1S/C10H12BrN5O/c1-15(6-7-3-4-13-16(7)2)10(17)9-8(11)5-12-14-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyOITUTAWCWPUNPF-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.18
Rot. Bonds3

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

4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 19515350) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID19515350
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccnn1C)C(=O)c1[nH]ncc1Br
InChIInChI=1S/C10H12BrN5O/c1-15(6-7-3-4-13-16(7)2)10(17)9-8(11)5-12-14-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyOITUTAWCWPUNPF-UHFFFAOYSA-N
XLogP1.18
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278178
2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531074
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19515329
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458295
4-bromo-N,N-diethyl-1H-pyrazole-5-carboxamide
CID 39854761
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
4-bromo-N-methyl-N-[(2S)-2-phenylpropyl]-1H-pyrazole-5-carboxamide
CID 96516992
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19278304
3-butyl-1-methyl-1-[(2-methylpyrazol-3-yl)methyl]urea
CID 19462474
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458189
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19458164

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 19515350) is 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is CN(Cc1ccnn1C)C(=O)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OITUTAWCWPUNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-15(6-7-3-4-13-16(7)2)10(17)9-8(11)5-12-14-9/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).