N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119509580

IUPACN-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-4-18-9-10-19-17(23)16-15(22)11-21(20-16)14-7-5-13(6-8-14)12(2)3;/h5-8,11-12,18,22H,4,9-10H2,1-3H3,(H,19,23);1H
InChIKeyRDHYMHUNIZVKND-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119509580) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119509580
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-4-18-9-10-19-17(23)16-15(22)11-21(20-16)14-7-5-13(6-8-14)12(2)3;/h5-8,11-12,18,22H,4,9-10H2,1-3H3,(H,19,23);1H
InChIKeyRDHYMHUNIZVKND-UHFFFAOYSA-N
XLogP2.46
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119454366
4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119514811
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 155951412
4-hydroxy-N-(piperidin-3-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119464684
4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 167905501
N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119482434
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 155944583
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
ethyl 4-formyl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 28811405
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide
CID 119505694
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride (CID 119509580) is N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride is CCNCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is RDHYMHUNIZVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-4-18-9-10-19-17(23)16-15(22)11-21(20-16)14-7-5-13(6-8-14)12(2)3;/h5-8,11-12,18,22H,4,9-10H2,1-3H3,(H,19,23);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119509580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).