N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C20H20N4O2 — CID 700633

IUPACN,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)N(C)C)cnn2-c2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c1-14-8-7-9-15(12-14)19(25)22-18-17(20(26)23(2)3)13-21-24(18)16-10-5-4-6-11-16/h4-13H,1-3H3,(H,22,25)
InChIKeyAZDGCPCTZGDKBI-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.13
Rot. Bonds4

About N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide

N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 700633) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID700633
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)N(C)C)cnn2-c2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c1-14-8-7-9-15(12-14)19(25)22-18-17(20(26)23(2)3)13-21-24(18)16-10-5-4-6-11-16/h4-13H,1-3H3,(H,22,25)
InChIKeyAZDGCPCTZGDKBI-UHFFFAOYSA-N
XLogP3.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 700633) is N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide is Cc1cccc(C(=O)Nc2c(C(=O)N(C)C)cnn2-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is AZDGCPCTZGDKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-8-7-9-15(12-14)19(25)22-18-17(20(26)23(2)3)13-21-24(18)16-10-5-4-6-11-16/h4-13H,1-3H3,(H,22,25).
What are the key properties of N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 700633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).