N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide

C19H18N4O2 — CID 69380891

IUPACN-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O2/c1-20-19(25)18-16(12-21-23-18)22-17(24)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyIRTGTUXDWPNFRS-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide

N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 69380891) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
PubChem CID69380891
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1NC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O2/c1-20-19(25)18-16(12-21-23-18)22-17(24)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyIRTGTUXDWPNFRS-UHFFFAOYSA-N
XLogP2.62
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide (CID 69380891) is N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide is CNC(=O)c1[nH]ncc1NC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is IRTGTUXDWPNFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-20-19(25)18-16(12-21-23-18)22-17(24)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(4-phenylphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69380891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).