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

C13H17F2N5 — CID 122167750

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
SMILESFC(F)n1ccc(NCc2cnn(C3CCCC3)c2)n1
InChIInChI=1S/C13H17F2N5/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)
InChIKeyNTFGHPXMNYQTKU-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.20
Rot. Bonds5

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

N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine (PubChem CID 122167750) has the molecular formula C13H17F2N5 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
PubChem CID122167750
Molecular FormulaC13H17F2N5
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
SMILESFC(F)n1ccc(NCc2cnn(C3CCCC3)c2)n1
InChIInChI=1S/C13H17F2N5/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)
InChIKeyNTFGHPXMNYQTKU-UHFFFAOYSA-N
XLogP3.20
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126966683
N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine
CID 122167733
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966380
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122167731
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768
1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965762
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126964188
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122166829

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine (CID 122167750) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine is FC(F)n1ccc(NCc2cnn(C3CCCC3)c2)n1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine?
The InChIKey is NTFGHPXMNYQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5/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).
What are the key properties of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine has a molecular weight of 281.31 g/mol, XLogP of 3.20, 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 is sourced from PubChem (CID 122167750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).