3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride

C19H21ClN4O3 — CID 120944023

IUPAC3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C19H20N4O3.ClH/c24-17-12-20-10-13(17)11-21-19(25)16-9-15(18-7-4-8-26-18)22-23(16)14-5-2-1-3-6-14;/h1-9,13,17,20,24H,10-12H2,(H,21,25);1H
InChIKeyFSPRAYSQYJDNCS-UHFFFAOYSA-N
MW388.86 g/mol
LogP1.86
Rot. Bonds5

About 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride

3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride (PubChem CID 120944023) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride
PubChem CID120944023
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C19H20N4O3.ClH/c24-17-12-20-10-13(17)11-21-19(25)16-9-15(18-7-4-8-26-18)22-23(16)14-5-2-1-3-6-14;/h1-9,13,17,20,24H,10-12H2,(H,21,25);1H
InChIKeyFSPRAYSQYJDNCS-UHFFFAOYSA-N
XLogP1.86
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
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CID 1053385
N-(4-aminocyclohexyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119474454
5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120944619
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 119455183
N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18131972
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 49067429
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride (CID 120944023) is 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride?
The InChIKey is FSPRAYSQYJDNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3.ClH/c24-17-12-20-10-13(17)11-21-19(25)16-9-15(18-7-4-8-26-18)22-23(16)14-5-2-1-3-6-14;/h1-9,13,17,20,24H,10-12H2,(H,21,25);1H.
What are the key properties of 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride?
3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride has a molecular weight of 388.86 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120944023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).