N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C21H28N4O3 — CID 24793273

IUPACN-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)C1CC1
InChIInChI=1S/C21H28N4O3/c26-12-13-28-19-3-1-2-16(14-19)15-24-10-7-18(8-11-24)25-20(6-9-22-25)23-21(27)17-4-5-17/h1-3,6,9,14,17-18,26H,4-5,7-8,10-13,15H2,(H,23,27)
InChIKeyYNPUGLDUJCASHW-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.44
Rot. Bonds8

About N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24793273) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24793273
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)C1CC1
InChIInChI=1S/C21H28N4O3/c26-12-13-28-19-3-1-2-16(14-19)15-24-10-7-18(8-11-24)25-20(6-9-22-25)23-21(27)17-4-5-17/h1-3,6,9,14,17-18,26H,4-5,7-8,10-13,15H2,(H,23,27)
InChIKeyYNPUGLDUJCASHW-UHFFFAOYSA-N
XLogP2.44
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide 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

5,7-Difluoro-2-propan-2-yl-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.14,8.018,22]tricosa-1(21),4(23),5,7,15(22),16,19-heptaen-14-one
CID 155520832
N-{1-[1-(2-hydroxy-3-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24790063
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-{1-[1-(2,3,4-trimethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 24790595
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-{1-[1-(3,4-dimethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791072
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24791091
N-[2-[1-(2-ethoxybenzyl)-4-piperidyl]pyrazol-3-yl]-3-phenyl-propionamide
CID 24791181
N-(1-{1-[2-(2-methoxyphenyl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)tetrahydro-3-furancarboxamide
CID 24791215
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenoxypropanamide
CID 24791244
N-{1-[1-(3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791326
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24791329

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24793273) is N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)C1CC1.
What is the InChIKey of N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is YNPUGLDUJCASHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-12-13-28-19-3-1-2-16(14-19)15-24-10-7-18(8-11-24)25-20(6-9-22-25)23-21(27)17-4-5-17/h1-3,6,9,14,17-18,26H,4-5,7-8,10-13,15H2,(H,23,27).
What are the key properties of N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24793273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).