N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide

C18H24N4O — CID 18119960

IUPACN,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(C)c1
InChIInChI=1S/C18H24N4O/c1-20(18(23)16-12-19-21(2)14-16)13-15-6-8-17(9-7-15)22-10-4-3-5-11-22/h6-9,12,14H,3-5,10-11,13H2,1-2H3
InChIKeyNDOKYUUITZOJOA-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.68
Rot. Bonds4

About N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide

N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 18119960) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID18119960
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(C)c1
InChIInChI=1S/C18H24N4O/c1-20(18(23)16-12-19-21(2)14-16)13-15-6-8-17(9-7-15)22-10-4-3-5-11-22/h6-9,12,14H,3-5,10-11,13H2,1-2H3
InChIKeyNDOKYUUITZOJOA-UHFFFAOYSA-N
XLogP2.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850704
N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 831887
Methanone, (2,3-dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)-
CID 844673
N-benzyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850356
T-3775440 hydrochloride
CID 86729932
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 86729933
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 820137
1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 822987

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide (CID 18119960) is N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NDOKYUUITZOJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-20(18(23)16-12-19-21(2)14-16)13-15-6-8-17(9-7-15)22-10-4-3-5-11-22/h6-9,12,14H,3-5,10-11,13H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 18119960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).