3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride

C13H23ClN4O — CID 119741055

IUPAC3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(C)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-8(12-7-17(3)16-9(12)2)15-13(18)10-4-5-11(14)6-10;/h7-8,10-11H,4-6,14H2,1-3H3,(H,15,18);1H
InChIKeyBTTVUFOXPFCQPY-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.45
Rot. Bonds3

About 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119741055) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119741055
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(C)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-8(12-7-17(3)16-9(12)2)15-13(18)10-4-5-11(14)6-10;/h7-8,10-11H,4-6,14H2,1-3H3,(H,15,18);1H
InChIKeyBTTVUFOXPFCQPY-UHFFFAOYSA-N
XLogP1.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
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CID 124805817
(1R,2R,3S,4R)-3-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124805818
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3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212734
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3-amino-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
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3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
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2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119741055) is 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride is Cc1nn(C)cc1C(C)NC(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is BTTVUFOXPFCQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-8(12-7-17(3)16-9(12)2)15-13(18)10-4-5-11(14)6-10;/h7-8,10-11H,4-6,14H2,1-3H3,(H,15,18);1H.
What are the key properties of 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119741055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).