N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide

C18H23ClN4O — CID 136524248

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN4O/c1-22-17(6-9-21-22)18(24)20-12-14-7-10-23(11-8-14)13-15-4-2-3-5-16(15)19/h2-6,9,14H,7-8,10-13H2,1H3,(H,20,24)
InChIKeyHZGLLVXTZZIAHR-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.72
Rot. Bonds5

About N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 136524248) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID136524248
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN4O/c1-22-17(6-9-21-22)18(24)20-12-14-7-10-23(11-8-14)13-15-4-2-3-5-16(15)19/h2-6,9,14H,7-8,10-13H2,1H3,(H,20,24)
InChIKeyHZGLLVXTZZIAHR-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-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

N-[[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide;formic acid
CID 154913539
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124699225
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
CID 119879593
4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
CID 120565429
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 119879576
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879575
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971109
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119879602
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4248327

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide (CID 136524248) is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is HZGLLVXTZZIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-22-17(6-9-21-22)18(24)20-12-14-7-10-23(11-8-14)13-15-4-2-3-5-16(15)19/h2-6,9,14H,7-8,10-13H2,1H3,(H,20,24).
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136524248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).