1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride

C14H22ClN5 — CID 126965671

IUPAC1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCn1nccc1CNc1cnn(C2CCCC2)c1.Cl
InChIInChI=1S/C14H21N5.ClH/c1-2-18-14(7-8-16-18)10-15-12-9-17-19(11-12)13-5-3-4-6-13;/h7-9,11,13,15H,2-6,10H2,1H3;1H
InChIKeyHTJKZENVLOQGPZ-UHFFFAOYSA-N
MW295.82 g/mol
LogP3.25
Rot. Bonds5

About 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride

1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126965671) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126965671
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCn1nccc1CNc1cnn(C2CCCC2)c1.Cl
InChIInChI=1S/C14H21N5.ClH/c1-2-18-14(7-8-16-18)10-15-12-9-17-19(11-12)13-5-3-4-6-13;/h7-9,11,13,15H,2-6,10H2,1H3;1H
InChIKeyHTJKZENVLOQGPZ-UHFFFAOYSA-N
XLogP3.25
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-cyclopentyl-1H-pyrazol-3-yl)methanamine
CID 64448980
1-methyl-3-(pyrrolidin-2-yl)-1H-pyrazole hydrochloride
CID 145874569
N-((1-methyl-1H-pyrazol-5-yl)methyl)cyclobutanamine dihydrochloride
CID 165994214
(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 28871074
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43749413
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]propan-1-amine
CID 52387528
3-pyrazol-1-yl-N-(1H-pyrazol-5-ylmethyl)butan-2-amine
CID 53557312
N-ethyl-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(1H-pyrazol-1-yl)ethanamine
CID 91831244
3-ethyl-1-methyl-N-[(3-methyltriazol-4-yl)methyl]pyrazol-4-amine
CID 115898011
1-(1-ethyl-1H-pyrazol-3-yl)-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
CID 118773108
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyltriazol-4-yl)methyl]methanamine
CID 138028320
N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-amine;hydrochloride
CID 175091436

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126965671) is 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride is CCn1nccc1CNc1cnn(C2CCCC2)c1.Cl.
What is the InChIKey of 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is HTJKZENVLOQGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.ClH/c1-2-18-14(7-8-16-18)10-15-12-9-17-19(11-12)13-5-3-4-6-13;/h7-9,11,13,15H,2-6,10H2,1H3;1H.
What are the key properties of 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).