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

C17H20Cl2N4O — CID 59173834

IUPACN-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C17H20Cl2N4O/c18-12-5-6-13(14(19)10-12)15-11-16(22-21-15)20-17(24)4-3-9-23-7-1-2-8-23/h5-6,10-11H,1-4,7-9H2,(H2,20,21,22,24)
InChIKeyIYGZILQPOQAHIF-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.20
Rot. Bonds6

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

N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 59173834) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID59173834
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC NameN-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C17H20Cl2N4O/c18-12-5-6-13(14(19)10-12)15-11-16(22-21-15)20-17(24)4-3-9-23-7-1-2-8-23/h5-6,10-11H,1-4,7-9H2,(H2,20,21,22,24)
InChIKeyIYGZILQPOQAHIF-UHFFFAOYSA-N
XLogP4.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173824
N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173983
N-[5-(5-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173771
N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173854
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59173992
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59174008
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173991
4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173970
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173977
4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 24998675

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 59173834) is N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)Nc1cc(-c2ccc(Cl)cc2Cl)[nH]n1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is IYGZILQPOQAHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c18-12-5-6-13(14(19)10-12)15-11-16(22-21-15)20-17(24)4-3-9-23-7-1-2-8-23/h5-6,10-11H,1-4,7-9H2,(H2,20,21,22,24).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 367.28 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59173834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).