4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide

C20H27N5O3 — CID 126772601

IUPAC4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1OCCO)N1CCN(c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C20H27N5O3/c26-11-12-28-18-4-2-1-3-16(18)14-21-20(27)25-9-7-24(8-10-25)19-13-17(22-23-19)15-5-6-15/h1-4,13,15,26H,5-12,14H2,(H,21,27)(H,22,23)
InChIKeyIJYDEAQTTHCSKA-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.69
Rot. Bonds7

About 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide

4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 126772601) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide
PubChem CID126772601
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1OCCO)N1CCN(c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C20H27N5O3/c26-11-12-28-18-4-2-1-3-16(18)14-21-20(27)25-9-7-24(8-10-25)19-13-17(22-23-19)15-5-6-15/h1-4,13,15,26H,5-12,14H2,(H,21,27)(H,22,23)
InChIKeyIJYDEAQTTHCSKA-UHFFFAOYSA-N
XLogP1.69
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-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

4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122020743
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71868134
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
N-[(2-methoxyphenyl)methyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113108129
(3S,3aS,7aR)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 99853495
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 126789735
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 126793673
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 111459270
N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 52710137
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide
CID 127942123
4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122560980

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide (CID 126772601) is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide is O=C(NCc1ccccc1OCCO)N1CCN(c2cc(C3CC3)[nH]n2)CC1.
What is the InChIKey of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is IJYDEAQTTHCSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-11-12-28-18-4-2-1-3-16(18)14-21-20(27)25-9-7-24(8-10-25)19-13-17(22-23-19)15-5-6-15/h1-4,13,15,26H,5-12,14H2,(H,21,27)(H,22,23).
What are the key properties of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide?
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 126772601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).