3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide

C14H11ClN6O — CID 78862068

IUPAC3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNc1ncccn1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C14H11ClN6O/c15-10-5-2-1-4-9(10)11-8-12(19-18-11)13(22)20-21-14-16-6-3-7-17-14/h1-8H,(H,18,19)(H,20,22)(H,16,17,21)
InChIKeySXGYNYTZYPNPSA-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.28
Rot. Bonds4

About 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide

3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide (PubChem CID 78862068) has the molecular formula C14H11ClN6O and a molecular weight of 314.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
PubChem CID78862068
Molecular FormulaC14H11ClN6O
Molecular Weight314.74 g/mol
Exact Mass314.07
IUPAC Name3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNc1ncccn1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C14H11ClN6O/c15-10-5-2-1-4-9(10)11-8-12(19-18-11)13(22)20-21-14-16-6-3-7-17-14/h1-8H,(H,18,19)(H,20,22)(H,16,17,21)
InChIKeySXGYNYTZYPNPSA-UHFFFAOYSA-N
XLogP2.28
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46920507
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 78860717
3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47036298
3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076
3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 110001692
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
3-(2-chlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136851853
3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686577
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056
3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4198779
3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920100
2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119211443

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide (CID 78862068) is 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide is O=C(NNc1ncccn1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide?
The InChIKey is SXGYNYTZYPNPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O/c15-10-5-2-1-4-9(10)11-8-12(19-18-11)13(22)20-21-14-16-6-3-7-17-14/h1-8H,(H,18,19)(H,20,22)(H,16,17,21).
What are the key properties of 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide?
3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide has a molecular weight of 314.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 78862068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).