N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide

C23H23Cl2N3O — CID 46092055

IUPACN-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C23H23Cl2N3O/c1-2-11-28(14-15-3-4-15)23(29)17-7-5-16(6-8-17)21-13-22(27-26-21)19-10-9-18(24)12-20(19)25/h5-10,12-13,15H,2-4,11,14H2,1H3,(H,26,27)
InChIKeyFBWRHFRQCJIGIB-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.31
Rot. Bonds7

About N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide

N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide (PubChem CID 46092055) has the molecular formula C23H23Cl2N3O and a molecular weight of 428.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide
PubChem CID46092055
Molecular FormulaC23H23Cl2N3O
Molecular Weight428.36 g/mol
Exact Mass427.12
IUPAC NameN-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C23H23Cl2N3O/c1-2-11-28(14-15-3-4-15)23(29)17-7-5-16(6-8-17)21-13-22(27-26-21)19-10-9-18(24)12-20(19)25/h5-10,12-13,15H,2-4,11,14H2,1H3,(H,26,27)
InChIKeyFBWRHFRQCJIGIB-UHFFFAOYSA-N
XLogP6.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-ethyl-N-propylbenzamide
CID 46092116
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 46092056
N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide
CID 46092129
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N,N-bis(2-methoxyethyl)benzamide
CID 91633917
N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide
CID 46092028
4-[(9-chloro-6-oxo-5,7-dihydropyrimido[5,4-d][1]benzazepin-2-yl)amino]-N-(cyclopropylmethyl)-N-propylbenzamide
CID 59851722
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 46704851
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide (CID 46092055) is N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide?
The InChIKey is FBWRHFRQCJIGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O/c1-2-11-28(14-15-3-4-15)23(29)17-7-5-16(6-8-17)21-13-22(27-26-21)19-10-9-18(24)12-20(19)25/h5-10,12-13,15H,2-4,11,14H2,1H3,(H,26,27).
What are the key properties of N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide?
N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide has a molecular weight of 428.36 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-propylbenzamide is sourced from PubChem (CID 46092055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).