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

C18H22Cl2N4O — CID 59173824

IUPACN-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2ccc(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C18H22Cl2N4O/c19-13-6-7-14(15(20)11-13)16-12-17(23-22-16)21-18(25)5-4-10-24-8-2-1-3-9-24/h6-7,11-12H,1-5,8-10H2,(H2,21,22,23,25)
InChIKeyIUJYJTJDPDEQJR-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.59
Rot. Bonds6

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

N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 59173824) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID59173824
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC NameN-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2ccc(Cl)cc2Cl)[nH]n1
InChIInChI=1S/C18H22Cl2N4O/c19-13-6-7-14(15(20)11-13)16-12-17(23-22-16)21-18(25)5-4-10-24-8-2-1-3-9-24/h6-7,11-12H,1-5,8-10H2,(H2,21,22,23,25)
InChIKeyIUJYJTJDPDEQJR-UHFFFAOYSA-N
XLogP4.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 59173824) is N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)Nc1cc(-c2ccc(Cl)cc2Cl)[nH]n1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is IUJYJTJDPDEQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c19-13-6-7-14(15(20)11-13)16-12-17(23-22-16)21-18(25)5-4-10-24-8-2-1-3-9-24/h6-7,11-12H,1-5,8-10H2,(H2,21,22,23,25).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 381.31 g/mol, XLogP of 4.59, 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-piperidin-1-ylbutanamide is sourced from PubChem (CID 59173824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).