N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide

C21H19N5O3 — CID 26823723

IUPACN-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H19N5O3/c27-19(14-6-7-14)22-16-10-8-15(9-11-16)20(28)25-26-21(29)18-12-17(23-24-18)13-4-2-1-3-5-13/h1-5,8-12,14H,6-7H2,(H,22,27)(H,23,24)(H,25,28)(H,26,29)
InChIKeyCBOITYJXAQIUIL-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.50
Rot. Bonds5

About N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 26823723) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID26823723
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H19N5O3/c27-19(14-6-7-14)22-16-10-8-15(9-11-16)20(28)25-26-21(29)18-12-17(23-24-18)13-4-2-1-3-5-13/h1-5,8-12,14H,6-7H2,(H,22,27)(H,23,24)(H,25,28)(H,26,29)
InChIKeyCBOITYJXAQIUIL-UHFFFAOYSA-N
XLogP2.50
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 24541019
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
4-(cyclopropanecarbonylamino)-N-(2-phenylphenyl)benzamide
CID 78767990
N-[4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 31421628
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
N-[4-[[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4960820
N'-(cyclopropanecarbonyl)-4-phenylbenzohydrazide
CID 833146
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 26823723) is N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide is O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is CBOITYJXAQIUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-19(14-6-7-14)22-16-10-8-15(9-11-16)20(28)25-26-21(29)18-12-17(23-24-18)13-4-2-1-3-5-13/h1-5,8-12,14H,6-7H2,(H,22,27)(H,23,24)(H,25,28)(H,26,29).
What are the key properties of N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 26823723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).