N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride

C16H23ClN4O — CID 119430045

IUPACN-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
SMILESCNCCCNC(=O)CCc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-17-10-5-11-18-16(21)9-8-14-12-19-20(13-14)15-6-3-2-4-7-15;/h2-4,6-7,12-13,17H,5,8-11H2,1H3,(H,18,21);1H
InChIKeyUWTDDJZGLDIFOP-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.95
Rot. Bonds8

About N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride

N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride (PubChem CID 119430045) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
PubChem CID119430045
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
SMILESCNCCCNC(=O)CCc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-17-10-5-11-18-16(21)9-8-14-12-19-20(13-14)15-6-3-2-4-7-15;/h2-4,6-7,12-13,17H,5,8-11H2,1H3,(H,18,21);1H
InChIKeyUWTDDJZGLDIFOP-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55436838
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 134000730
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 134000599
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride (CID 119430045) is N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride is CNCCCNC(=O)CCc1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride?
The InChIKey is UWTDDJZGLDIFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-17-10-5-11-18-16(21)9-8-14-12-19-20(13-14)15-6-3-2-4-7-15;/h2-4,6-7,12-13,17H,5,8-11H2,1H3,(H,18,21);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride?
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 119430045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).