ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate

C19H25N3O2 — CID 66570485

IUPACethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O2/c1-2-24-19(23)18-12-20-22(15-18)14-17-8-10-21(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,15,17H,2,8-11,13-14H2,1H3
InChIKeyKLSLTMBETJBRPR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.97
Rot. Bonds6

About ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate

ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate (PubChem CID 66570485) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
PubChem CID66570485
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nameethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3O2/c1-2-24-19(23)18-12-20-22(15-18)14-17-8-10-21(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,15,17H,2,8-11,13-14H2,1H3
InChIKeyKLSLTMBETJBRPR-UHFFFAOYSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate 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

4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
ethyl 1-[(3,3-difluorocyclobutyl)methyl]pyrazole-4-carboxylate
CID 122240406
ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate
CID 165487204
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
methyl 4-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate
CID 90495331
ethyl 1-[(2-aminophenyl)methyl]pyrazole-4-carboxylate
CID 81498202
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-fluoropyridine-3-carboxylate
CID 68963376
2-methyl-1-[4-[4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]phenyl]phenyl]propan-1-one
CID 155739719
ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate
CID 79003972

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate (CID 66570485) is ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is KLSLTMBETJBRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-24-19(23)18-12-20-22(15-18)14-17-8-10-21(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,15,17H,2,8-11,13-14H2,1H3.
What are the key properties of ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate?
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 66570485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).