4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride

C16H23ClN4O — CID 119710915

IUPAC4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccnn1CCc1ccccc1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-17-11-5-8-16(21)19-15-9-12-18-20(15)13-10-14-6-3-2-4-7-14;/h2-4,6-7,9,12,17H,5,8,10-11,13H2,1H3,(H,19,21);1H
InChIKeyQJAJNIWACZYDPR-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.49
Rot. Bonds8

About 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride

4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride (PubChem CID 119710915) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride
PubChem CID119710915
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccnn1CCc1ccccc1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-17-11-5-8-16(21)19-15-9-12-18-20(15)13-10-14-6-3-2-4-7-14;/h2-4,6-7,9,12,17H,5,8,10-11,13H2,1H3,(H,19,21);1H
InChIKeyQJAJNIWACZYDPR-UHFFFAOYSA-N
XLogP2.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
CID 120559913
4-(3-acetylphenoxy)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide
CID 60612910
N-[2-(2-phenylethyl)pyrazol-3-yl]-2-prop-2-enylsulfanylacetamide
CID 51103469
(2R)-2-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]propanamide
CID 119282442
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
2-hydroxy-2-phenyl-N-[2-(2-phenylethyl)pyrazol-3-yl]acetamide
CID 111432601
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(methylamino)butanamide
CID 119695467
N-[2-(2-phenylethyl)pyrazol-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119710933
5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide
CID 55760974
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704768
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
2-hydroxy-N-[2-(2-phenylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110014410

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride (CID 119710915) is 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride is CNCCCC(=O)Nc1ccnn1CCc1ccccc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride?
The InChIKey is QJAJNIWACZYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-17-11-5-8-16(21)19-15-9-12-18-20(15)13-10-14-6-3-2-4-7-14;/h2-4,6-7,9,12,17H,5,8,10-11,13H2,1H3,(H,19,21);1H.
What are the key properties of 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride?
4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119710915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).