N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride

C15H23ClFN5 — CID 126966176

IUPACN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCc1nn(C2CCCC2)cc1CNc1cnn(CCF)c1.Cl
InChIInChI=1S/C15H22FN5.ClH/c1-12-13(10-21(19-12)15-4-2-3-5-15)8-17-14-9-18-20(11-14)7-6-16;/h9-11,15,17H,2-8H2,1H3;1H
InChIKeyMSICXLYHMKWXEL-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.51
Rot. Bonds6

About N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride

N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride (PubChem CID 126966176) has the molecular formula C15H23ClFN5 and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
PubChem CID126966176
Molecular FormulaC15H23ClFN5
Molecular Weight327.84 g/mol
Exact Mass327.16
IUPAC NameN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCc1nn(C2CCCC2)cc1CNc1cnn(CCF)c1.Cl
InChIInChI=1S/C15H22FN5.ClH/c1-12-13(10-21(19-12)15-4-2-3-5-15)8-17-14-9-18-20(11-14)7-6-16;/h9-11,15,17H,2-8H2,1H3;1H
InChIKeyMSICXLYHMKWXEL-UHFFFAOYSA-N
XLogP3.51
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride (CID 126966176) is N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride is Cc1nn(C2CCCC2)cc1CNc1cnn(CCF)c1.Cl.
What is the InChIKey of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is MSICXLYHMKWXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5.ClH/c1-12-13(10-21(19-12)15-4-2-3-5-15)8-17-14-9-18-20(11-14)7-6-16;/h9-11,15,17H,2-8H2,1H3;1H.
What are the key properties of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride?
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126966176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).