5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C24H21Cl2N5O — CID 39518259

IUPAC5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cn1ccnc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C24H21Cl2N5O/c25-19-7-8-22(21(26)11-19)31-23(16-5-6-16)20(13-29-31)24(32)28-12-17-3-1-2-4-18(17)14-30-10-9-27-15-30/h1-4,7-11,13,15-16H,5-6,12,14H2,(H,28,32)
InChIKeyUOIOGVLYXITLQR-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.23
Rot. Bonds7

About 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 39518259) has the molecular formula C24H21Cl2N5O and a molecular weight of 466.37 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID39518259
Molecular FormulaC24H21Cl2N5O
Molecular Weight466.37 g/mol
Exact Mass465.11
IUPAC Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cn1ccnc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C24H21Cl2N5O/c25-19-7-8-22(21(26)11-19)31-23(16-5-6-16)20(13-29-31)24(32)28-12-17-3-1-2-4-18(17)14-30-10-9-27-15-30/h1-4,7-11,13,15-16H,5-6,12,14H2,(H,28,32)
InChIKeyUOIOGVLYXITLQR-UHFFFAOYSA-N
XLogP5.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 39518259) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is O=C(NCc1ccccc1Cn1ccnc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is UOIOGVLYXITLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O/c25-19-7-8-22(21(26)11-19)31-23(16-5-6-16)20(13-29-31)24(32)28-12-17-3-1-2-4-18(17)14-30-10-9-27-15-30/h1-4,7-11,13,15-16H,5-6,12,14H2,(H,28,32).
What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39518259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).