4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide

C16H18ClN3O — CID 77081515

IUPAC4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide
SMILESCc1ccccc1CC1(NC(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C16H18ClN3O/c1-11-5-3-4-6-12(11)9-16(7-8-16)19-15(21)14-13(17)10-18-20(14)2/h3-6,10H,7-9H2,1-2H3,(H,19,21)
InChIKeyQTNRQQZMXBYTFO-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide (PubChem CID 77081515) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide
PubChem CID77081515
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide
SMILESCc1ccccc1CC1(NC(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C16H18ClN3O/c1-11-5-3-4-6-12(11)9-16(7-8-16)19-15(21)14-13(17)10-18-20(14)2/h3-6,10H,7-9H2,1-2H3,(H,19,21)
InChIKeyQTNRQQZMXBYTFO-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide
CID 77095105
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 122559595
2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
CID 82133784
(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 125438025
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
1-(4-chloro-1-methylpyrazol-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114669462
3-iodo-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2H-indazole-5-carboxamide
CID 86710892
4-chloro-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
CID 56760516
1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone
CID 103458258
4-chloro-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475945
ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 6467478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide (CID 77081515) is 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide is Cc1ccccc1CC1(NC(=O)c2c(Cl)cnn2C)CC1.
What is the InChIKey of 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide?
The InChIKey is QTNRQQZMXBYTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-5-3-4-6-12(11)9-16(7-8-16)19-15(21)14-13(17)10-18-20(14)2/h3-6,10H,7-9H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]cyclopropyl]pyrazole-5-carboxamide is sourced from PubChem (CID 77081515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).