N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide

C16H16ClN5O2 — CID 111477338

IUPACN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)Nc1cc(-c2ccc(Cl)cc2)nn1CCO
InChIInChI=1S/C16H16ClN5O2/c17-12-3-1-11(2-4-12)14-10-15(22(21-14)7-8-23)19-16(24)9-13-5-6-18-20-13/h1-6,10,23H,7-9H2,(H,18,20)(H,19,24)
InChIKeyMSGMTQURRRRSIL-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.10
Rot. Bonds6

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

N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 111477338) 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]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID111477338
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)Nc1cc(-c2ccc(Cl)cc2)nn1CCO
InChIInChI=1S/C16H16ClN5O2/c17-12-3-1-11(2-4-12)14-10-15(22(21-14)7-8-23)19-16(24)9-13-5-6-18-20-13/h1-6,10,23H,7-9H2,(H,18,20)(H,19,24)
InChIKeyMSGMTQURRRRSIL-UHFFFAOYSA-N
XLogP2.10
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-prop-2-ynylurea
CID 110929154
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110928423
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 136543276
5-chloro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79140170
1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide
CID 126774750
N-(3,5-dichloro-4-hydroxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
CID 75523474
N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide
CID 110928398
N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide
CID 71933982
3,5-dichloro-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 82830477
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8005758
2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139290
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide (CID 111477338) is N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)Nc1cc(-c2ccc(Cl)cc2)nn1CCO.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is MSGMTQURRRRSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c17-12-3-1-11(2-4-12)14-10-15(22(21-14)7-8-23)19-16(24)9-13-5-6-18-20-13/h1-6,10,23H,7-9H2,(H,18,20)(H,19,24).
What are the key properties of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide?
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 345.79 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 111477338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).