1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride

C15H18ClF2N3 — CID 126964844

IUPAC1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Fc1ccc(F)c(CNc2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C15H17F2N3.ClH/c16-12-5-6-15(17)11(7-12)8-18-13-9-19-20(10-13)14-3-1-2-4-14;/h5-7,9-10,14,18H,1-4,8H2;1H
InChIKeyVAISWRLPTNOYEZ-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.31
Rot. Bonds4

About 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride

1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126964844) has the molecular formula C15H18ClF2N3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126964844
Molecular FormulaC15H18ClF2N3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Fc1ccc(F)c(CNc2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C15H17F2N3.ClH/c16-12-5-6-15(17)11(7-12)8-18-13-9-19-20(10-13)14-3-1-2-4-14;/h5-7,9-10,14,18H,1-4,8H2;1H
InChIKeyVAISWRLPTNOYEZ-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride 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

1-cyclopentyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]pyrazol-4-amine
CID 122169226
2-[[(1-cyclopentylpyrazol-4-yl)amino]methyl]benzoic acid;hydrochloride
CID 126968275
1-cyclopentyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166520
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967855
1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 122168086
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline
CID 171116031
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126966176
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
CID 43543559

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride (CID 126964844) is 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride is Cl.Fc1ccc(F)c(CNc2cnn(C3CCCC3)c2)c1.
What is the InChIKey of 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is VAISWRLPTNOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3.ClH/c16-12-5-6-15(17)11(7-12)8-18-13-9-19-20(10-13)14-3-1-2-4-14;/h5-7,9-10,14,18H,1-4,8H2;1H.
What are the key properties of 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126964844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).