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

C10H12ClN5O — CID 843848

IUPAC4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H12ClN5O/c1-15-7(3-4-13-15)5-12-10(17)9-8(11)6-14-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17)
InChIKeyMQVMYBVZTXORDB-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.74
Rot. Bonds3

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

4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 843848) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID843848
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H12ClN5O/c1-15-7(3-4-13-15)5-12-10(17)9-8(11)6-14-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17)
InChIKeyMQVMYBVZTXORDB-UHFFFAOYSA-N
XLogP0.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
4-bromo-N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 4769940
4-{[2-(4-Chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
CID 4776458
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
CID 4776652
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide (CID 843848) is 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide is Cn1nccc1CNC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is MQVMYBVZTXORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-15-7(3-4-13-15)5-12-10(17)9-8(11)6-14-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17).
What are the key properties of 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 253.69 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 843848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).