N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide

C17H23N5O — CID 134048457

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(N2CCN(C)CC2)cc1)n1cccn1
InChIInChI=1S/C17H23N5O/c1-14(22-9-3-8-18-22)17(23)19-15-4-6-16(7-5-15)21-12-10-20(2)11-13-21/h3-9,14H,10-13H2,1-2H3,(H,19,23)
InChIKeyHEUCZANDKDPJHM-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.83
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 134048457) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID134048457
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(N2CCN(C)CC2)cc1)n1cccn1
InChIInChI=1S/C17H23N5O/c1-14(22-9-3-8-18-22)17(23)19-15-4-6-16(7-5-15)21-12-10-20(2)11-13-21/h3-9,14H,10-13H2,1-2H3,(H,19,23)
InChIKeyHEUCZANDKDPJHM-UHFFFAOYSA-N
XLogP1.83
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide
CID 122299220
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
N-(1-methylpyrazol-4-yl)-2-pyrazol-1-ylpropanamide
CID 47187700
2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211185
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 134048488
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
(2S)-2-benzylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 52646335
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide (CID 134048457) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccc(N2CCN(C)CC2)cc1)n1cccn1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is HEUCZANDKDPJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14(22-9-3-8-18-22)17(23)19-15-4-6-16(7-5-15)21-12-10-20(2)11-13-21/h3-9,14H,10-13H2,1-2H3,(H,19,23).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 313.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).