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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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).