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

C22H18Cl2N6O — CID 55795529

IUPAC5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C22H18Cl2N6O/c23-16-5-8-20(19(24)9-16)30-21(15-3-4-15)18(11-27-30)22(31)26-10-14-1-6-17(7-2-14)29-13-25-12-28-29/h1-2,5-9,11-13,15H,3-4,10H2,(H,26,31)
InChIKeyDCTHZVGAQBOSRN-UHFFFAOYSA-N
MW453.33 g/mol
LogP4.57
Rot. Bonds6

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

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55795529) has the molecular formula C22H18Cl2N6O and a molecular weight of 453.33 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55795529
Molecular FormulaC22H18Cl2N6O
Molecular Weight453.33 g/mol
Exact Mass452.09
IUPAC Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C22H18Cl2N6O/c23-16-5-8-20(19(24)9-16)30-21(15-3-4-15)18(11-27-30)22(31)26-10-14-1-6-17(7-2-14)29-13-25-12-28-29/h1-2,5-9,11-13,15H,3-4,10H2,(H,26,31)
InChIKeyDCTHZVGAQBOSRN-UHFFFAOYSA-N
XLogP4.57
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39518259
propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
CID 95782154
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 167814570
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55720282
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55795750
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 55982898
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732214
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 55795529) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide is O=C(NCc1ccc(-n2cncn2)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is DCTHZVGAQBOSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N6O/c23-16-5-8-20(19(24)9-16)30-21(15-3-4-15)18(11-27-30)22(31)26-10-14-1-6-17(7-2-14)29-13-25-12-28-29/h1-2,5-9,11-13,15H,3-4,10H2,(H,26,31).
What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 453.33 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55795529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).