N-phenyl-3,4-dihydropyrazole-2-carboxamide

C10H11N3O — CID 22613946

IUPACN-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC=N1
InChIInChI=1S/C10H11N3O/c14-10(13-8-4-7-11-13)12-9-5-2-1-3-6-9/h1-3,5-7H,4,8H2,(H,12,14)
InChIKeyGAIDMFJMNWIBCX-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.91
Rot. Bonds1

About N-phenyl-3,4-dihydropyrazole-2-carboxamide

N-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 22613946) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID22613946
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC=N1
InChIInChI=1S/C10H11N3O/c14-10(13-8-4-7-11-13)12-9-5-2-1-3-6-9/h1-3,5-7H,4,8H2,(H,12,14)
InChIKeyGAIDMFJMNWIBCX-UHFFFAOYSA-N
XLogP1.91
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(E)-hexan-2-ylideneamino]-3-phenylurea
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N-methyl-N-nitroso-N'-phenylurea
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N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
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1-Butyl-2-phenyl-1,2,4-triazolidine-3,5-dione
CID 215061
Bicarbamimide, 2-allyl-3-phenyl-
CID 215083
Hydrazinecarboxamide, 1-(2-cyanoethyl)-2,2-dimethyl-N-phenyl-
CID 3024662
1-[Methyl(prop-2-enyl)amino]-3-phenylurea
CID 816171
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-phenylurea
CID 12449017
Bicarbamimide, 2-(2-butenyl)-3-phenyl-
CID 6445416

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 22613946) is N-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1)N1CCC=N1.
What is the InChIKey of N-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GAIDMFJMNWIBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10(13-8-4-7-11-13)12-9-5-2-1-3-6-9/h1-3,5-7H,4,8H2,(H,12,14).
What are the key properties of N-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 22613946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).