N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H29ClN4O — CID 119710933

IUPACN-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccnn1CCc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-16(18-7-11-21-12-8-18)15-20(25)23-19-9-13-22-24(19)14-10-17-5-3-2-4-6-17;/h2-6,9,13,16,18,21H,7-8,10-12,14-15H2,1H3,(H,23,25);1H
InChIKeyPPGLHGLEMQOSHD-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119710933) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119710933
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC NameN-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccnn1CCc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-16(18-7-11-21-12-8-18)15-20(25)23-19-9-13-22-24(19)14-10-17-5-3-2-4-6-17;/h2-6,9,13,16,18,21H,7-8,10-12,14-15H2,1H3,(H,23,25);1H
InChIKeyPPGLHGLEMQOSHD-UHFFFAOYSA-N
XLogP3.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
CID 120559913
5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119710914
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 119710915
3-piperidin-4-yl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]butanamide
CID 119862150
2-hydroxy-N-[2-(2-phenylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110014410
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771595
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119710933) is N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccnn1CCc1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is PPGLHGLEMQOSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.ClH/c1-16(18-7-11-21-12-8-18)15-20(25)23-19-9-13-22-24(19)14-10-17-5-3-2-4-6-17;/h2-6,9,13,16,18,21H,7-8,10-12,14-15H2,1H3,(H,23,25);1H.
What are the key properties of N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119710933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).