N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide

C18H23ClN4O — CID 24817786

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C18H23ClN4O/c1-2-23-12-15(10-20-23)18(24)21-17-4-3-9-22(13-17)11-14-5-7-16(19)8-6-14/h5-8,10,12,17H,2-4,9,11,13H2,1H3,(H,21,24)
InChIKeyRATWLAHEWSHNKS-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.95
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide (PubChem CID 24817786) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide
PubChem CID24817786
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C18H23ClN4O/c1-2-23-12-15(10-20-23)18(24)21-17-4-3-9-22(13-17)11-14-5-7-16(19)8-6-14/h5-8,10,12,17H,2-4,9,11,13H2,1H3,(H,21,24)
InChIKeyRATWLAHEWSHNKS-UHFFFAOYSA-N
XLogP2.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide (CID 24817786) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is RATWLAHEWSHNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-2-23-12-15(10-20-23)18(24)21-17-4-3-9-22(13-17)11-14-5-7-16(19)8-6-14/h5-8,10,12,17H,2-4,9,11,13H2,1H3,(H,21,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 24817786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).