3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride

C15H20ClN5O — CID 154903028

IUPAC3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC1CCN(C(=O)Nc2ccnn2Cc2ccccc2)C1
InChIInChI=1S/C15H19N5O.ClH/c16-13-7-9-19(11-13)15(21)18-14-6-8-17-20(14)10-12-4-2-1-3-5-12;/h1-6,8,13H,7,9-11,16H2,(H,18,21);1H
InChIKeyHBECUWBCMLIHTE-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.92
Rot. Bonds3

About 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride

3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride (PubChem CID 154903028) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
PubChem CID154903028
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC1CCN(C(=O)Nc2ccnn2Cc2ccccc2)C1
InChIInChI=1S/C15H19N5O.ClH/c16-13-7-9-19(11-13)15(21)18-14-6-8-17-20(14)10-12-4-2-1-3-5-12;/h1-6,8,13H,7,9-11,16H2,(H,18,21);1H
InChIKeyHBECUWBCMLIHTE-UHFFFAOYSA-N
XLogP1.92
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
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N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 136534543
N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55631067
N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
CID 47007012
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
1-[[2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122090658
1-[[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090605
(3S)-3-(imidazol-1-ylmethyl)-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 97436583
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 75524666
1-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102887
N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride (CID 154903028) is 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride is Cl.NC1CCN(C(=O)Nc2ccnn2Cc2ccccc2)C1.
What is the InChIKey of 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is HBECUWBCMLIHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c16-13-7-9-19(11-13)15(21)18-14-6-8-17-20(14)10-12-4-2-1-3-5-12;/h1-6,8,13H,7,9-11,16H2,(H,18,21);1H.
What are the key properties of 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride?
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 154903028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).