N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide

C16H16ClN5O2 — CID 136543276

IUPACN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO
InChIInChI=1S/C16H16ClN5O2/c1-21-10-18-9-14(21)16(24)19-15-8-13(20-22(15)6-7-23)11-2-4-12(17)5-3-11/h2-5,8-10,23H,6-7H2,1H3,(H,19,24)
InChIKeyUPDBFFLJUGUEJC-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.18
Rot. Bonds5

About N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide

N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide (PubChem CID 136543276) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
PubChem CID136543276
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO
InChIInChI=1S/C16H16ClN5O2/c1-21-10-18-9-14(21)16(24)19-15-8-13(20-22(15)6-7-23)11-2-4-12(17)5-3-11/h2-5,8-10,23H,6-7H2,1H3,(H,19,24)
InChIKeyUPDBFFLJUGUEJC-UHFFFAOYSA-N
XLogP2.18
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110928423
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 126811714
1-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-prop-2-ynylurea
CID 110929154
N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide
CID 71933982
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477338
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103511804
1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide
CID 126774750
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810
N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide
CID 110928375
N-(2-carbamothioyl-5-chlorophenyl)-3-methylimidazole-4-carboxamide
CID 103511023
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
N-(4-chlorophenyl)-1-[4-[5-[(4-chlorophenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497561

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide (CID 136543276) is N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide?
The InChIKey is UPDBFFLJUGUEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-21-10-18-9-14(21)16(24)19-15-8-13(20-22(15)6-7-23)11-2-4-12(17)5-3-11/h2-5,8-10,23H,6-7H2,1H3,(H,19,24).
What are the key properties of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide?
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 136543276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).