4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

C18H25ClN4O2 — CID 119453024

IUPAC4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)COc1cn(-c2ccccc2)nc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13(2)12-24-16-11-22(15-6-4-3-5-7-15)21-17(16)18(23)20-14-8-9-19-10-14;/h3-7,11,13-14,19H,8-10,12H2,1-2H3,(H,20,23);1H
InChIKeyBLBOOMFEQYMVTG-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.42
Rot. Bonds6

About 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride

4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119453024) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119453024
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)COc1cn(-c2ccccc2)nc1C(=O)NC1CCNC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13(2)12-24-16-11-22(15-6-4-3-5-7-15)21-17(16)18(23)20-14-8-9-19-10-14;/h3-7,11,13-14,19H,8-10,12H2,1-2H3,(H,20,23);1H
InChIKeyBLBOOMFEQYMVTG-UHFFFAOYSA-N
XLogP2.42
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119604031
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119571155
[3-(methylamino)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
CID 119492158
4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 166317144
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119647294
4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119454366
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone
CID 119638258
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119440303
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229795
(3R,4R)-4-cyclopropyl-1-[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120978923
2-[4-[[[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120699002

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride (CID 119453024) is 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is CC(C)COc1cn(-c2ccccc2)nc1C(=O)NC1CCNC1.Cl.
What is the InChIKey of 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is BLBOOMFEQYMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-13(2)12-24-16-11-22(15-6-4-3-5-7-15)21-17(16)18(23)20-14-8-9-19-10-14;/h3-7,11,13-14,19H,8-10,12H2,1-2H3,(H,20,23);1H.
What are the key properties of 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride?
4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119453024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).