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

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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).