N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide

C19H21N5O — CID 134328490

IUPACN-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(C)n2C)c1
InChIInChI=1S/C19H21N5O/c1-12-4-5-14(19(25)22-16-6-7-16)8-17(12)15-9-21-24(11-15)18-10-20-13(2)23(18)3/h4-5,8-11,16H,6-7H2,1-3H3,(H,22,25)
InChIKeyDVIZLDRTTWFCII-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134328490) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide
PubChem CID134328490
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(C)n2C)c1
InChIInChI=1S/C19H21N5O/c1-12-4-5-14(19(25)22-16-6-7-16)8-17(12)15-9-21-24(11-15)18-10-20-13(2)23(18)3/h4-5,8-11,16H,6-7H2,1-3H3,(H,22,25)
InChIKeyDVIZLDRTTWFCII-UHFFFAOYSA-N
XLogP2.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide (CID 134328490) is N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc(C)n2C)c1.
What is the InChIKey of N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is DVIZLDRTTWFCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-4-5-14(19(25)22-16-6-7-16)8-17(12)15-9-21-24(11-15)18-10-20-13(2)23(18)3/h4-5,8-11,16H,6-7H2,1-3H3,(H,22,25).
What are the key properties of N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2,3-dimethylimidazol-4-yl)pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134328490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).