N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

C18H24ClN3O — CID 42686085

IUPACN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H24ClN3O/c1-5-7-14-17(20-15(23)11-18(2,3)4)16(22-21-14)12-8-6-9-13(19)10-12/h6,8-10H,5,7,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyWYFFYTZUOCEGBM-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.06
Rot. Bonds5

About N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide (PubChem CID 42686085) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
PubChem CID42686085
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H24ClN3O/c1-5-7-14-17(20-15(23)11-18(2,3)4)16(22-21-14)12-8-6-9-13(19)10-12/h6,8-10H,5,7,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyWYFFYTZUOCEGBM-UHFFFAOYSA-N
XLogP5.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686082
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686092
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686204
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide (CID 42686085) is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide is CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The InChIKey is WYFFYTZUOCEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-5-7-14-17(20-15(23)11-18(2,3)4)16(22-21-14)12-8-6-9-13(19)10-12/h6,8-10H,5,7,11H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide has a molecular weight of 333.86 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 42686085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).