N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide

C16H20ClN3O — CID 42686082

IUPACN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)C(C)C
InChIInChI=1S/C16H20ClN3O/c1-4-6-13-15(18-16(21)10(2)3)14(20-19-13)11-7-5-8-12(17)9-11/h5,7-10H,4,6H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOHJQDTXFVZKBJB-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.28
Rot. Bonds5

About N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide (PubChem CID 42686082) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
PubChem CID42686082
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)C(C)C
InChIInChI=1S/C16H20ClN3O/c1-4-6-13-15(18-16(21)10(2)3)14(20-19-13)11-7-5-8-12(17)9-11/h5,7-10H,4,6H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOHJQDTXFVZKBJB-UHFFFAOYSA-N
XLogP4.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686085
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-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42874047
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42685984
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide (CID 42686082) is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide is CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)C(C)C.
What is the InChIKey of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is OHJQDTXFVZKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-6-13-15(18-16(21)10(2)3)14(20-19-13)11-7-5-8-12(17)9-11/h5,7-10H,4,6H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide?
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 305.81 g/mol, XLogP of 4.28, 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]-2-methylpropanamide is sourced from PubChem (CID 42686082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).