N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride

C13H18ClF2N5 — CID 126966683

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
SMILESCl.FC(F)n1ccc(NCc2cnn(C3CCCC3)c2)n1
InChIInChI=1S/C13H17F2N5.ClH/c14-13(15)19-6-5-12(18-19)16-7-10-8-17-20(9-10)11-3-1-2-4-11;/h5-6,8-9,11,13H,1-4,7H2,(H,16,18);1H
InChIKeyQHIYQHNJBDUDKD-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.62
Rot. Bonds5

About N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride

N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride (PubChem CID 126966683) has the molecular formula C13H18ClF2N5 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
PubChem CID126966683
Molecular FormulaC13H18ClF2N5
Molecular Weight317.77 g/mol
Exact Mass317.12
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
SMILESCl.FC(F)n1ccc(NCc2cnn(C3CCCC3)c2)n1
InChIInChI=1S/C13H17F2N5.ClH/c14-13(15)19-6-5-12(18-19)16-7-10-8-17-20(9-10)11-3-1-2-4-11;/h5-6,8-9,11,13H,1-4,7H2,(H,16,18);1H
InChIKeyQHIYQHNJBDUDKD-UHFFFAOYSA-N
XLogP3.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride (CID 126966683) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride is Cl.FC(F)n1ccc(NCc2cnn(C3CCCC3)c2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride?
The InChIKey is QHIYQHNJBDUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5.ClH/c14-13(15)19-6-5-12(18-19)16-7-10-8-17-20(9-10)11-3-1-2-4-11;/h5-6,8-9,11,13H,1-4,7H2,(H,16,18);1H.
What are the key properties of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 3.62, 5 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]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126966683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).