1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide

C15H18ClN3O2 — CID 78803331

IUPAC1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(C)O
InChIInChI=1S/C15H18ClN3O2/c1-10(20)8-17-15(21)13-11(2)18-19(14(13)16)9-12-6-4-3-5-7-12/h3-7,10,20H,8-9H2,1-2H3,(H,17,21)
InChIKeyPKYDFMRFOSMJGK-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.00
Rot. Bonds5

About 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide (PubChem CID 78803331) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
PubChem CID78803331
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(C)O
InChIInChI=1S/C15H18ClN3O2/c1-10(20)8-17-15(21)13-11(2)18-19(14(13)16)9-12-6-4-3-5-7-12/h3-7,10,20H,8-9H2,1-2H3,(H,17,21)
InChIKeyPKYDFMRFOSMJGK-UHFFFAOYSA-N
XLogP2.00
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-chloro-N-(3-hydroxy-4-methylpentyl)-3-methylpyrazole-4-carboxamide
CID 111461585
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
1-benzyl-5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylpyrazole-4-carboxamide
CID 30480679
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
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1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
5-chloro-N-(3-hydroxybutyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 111429075
1-benzyl-5-chloro-3-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 9227721
1-benzyl-5-chloro-N-[(2S)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylpyrazole-4-carboxamide
CID 52746436
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040
1-benzyl-5-chloro-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrazole-4-carboxamide
CID 31109395
1-benzyl-5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 9461134
1-benzyl-5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 43006258

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide (CID 78803331) is 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(C)O.
What is the InChIKey of 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is PKYDFMRFOSMJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(20)8-17-15(21)13-11(2)18-19(14(13)16)9-12-6-4-3-5-7-12/h3-7,10,20H,8-9H2,1-2H3,(H,17,21).
What are the key properties of 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78803331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).