N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride

C14H22ClN5 — CID 126966380

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2cnn(C3CCCC3)c2)n(C)n1.Cl
InChIInChI=1S/C14H21N5.ClH/c1-11-7-14(18(2)17-11)15-8-12-9-16-19(10-12)13-5-3-4-6-13;/h7,9-10,13,15H,3-6,8H2,1-2H3;1H
InChIKeyOCIRHBZIHWLZPB-UHFFFAOYSA-N
MW295.82 g/mol
LogP3.07
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride

N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride (PubChem CID 126966380) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
PubChem CID126966380
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2cnn(C3CCCC3)c2)n(C)n1.Cl
InChIInChI=1S/C14H21N5.ClH/c1-11-7-14(18(2)17-11)15-8-12-9-16-19(10-12)13-5-3-4-6-13;/h7,9-10,13,15H,3-6,8H2,1-2H3;1H
InChIKeyOCIRHBZIHWLZPB-UHFFFAOYSA-N
XLogP3.07
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine
CID 122167733
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166456
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122167731
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126966683
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967855
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
CID 122167750
N-[(3,5-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126967917

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride (CID 126966380) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride is Cc1cc(NCc2cnn(C3CCCC3)c2)n(C)n1.Cl.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The InChIKey is OCIRHBZIHWLZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5.ClH/c1-11-7-14(18(2)17-11)15-8-12-9-16-19(10-12)13-5-3-4-6-13;/h7,9-10,13,15H,3-6,8H2,1-2H3;1H.
What are the key properties of N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126966380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).