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

C10H15ClFN5 — CID 126967961

IUPAC1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(CNc2cnn(CCF)c2)cn1
InChIInChI=1S/C10H14FN5.ClH/c1-15-7-9(5-13-15)4-12-10-6-14-16(8-10)3-2-11;/h5-8,12H,2-4H2,1H3;1H
InChIKeyAVSHHBNWFWKHHA-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.62
Rot. Bonds5

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

1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126967961) has the molecular formula C10H15ClFN5 and a molecular weight of 259.72 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126967961
Molecular FormulaC10H15ClFN5
Molecular Weight259.72 g/mol
Exact Mass259.10
IUPAC Name1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(CNc2cnn(CCF)c2)cn1
InChIInChI=1S/C10H14FN5.ClH/c1-15-7-9(5-13-15)4-12-10-6-14-16(8-10)3-2-11;/h5-8,12H,2-4H2,1H3;1H
InChIKeyAVSHHBNWFWKHHA-UHFFFAOYSA-N
XLogP1.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine
CID 154866077
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126964764
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126966176
1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126968159
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965016
1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964190
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine
CID 122169295

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126967961) is 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is Cl.Cn1cc(CNc2cnn(CCF)c2)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is AVSHHBNWFWKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5.ClH/c1-15-7-9(5-13-15)4-12-10-6-14-16(8-10)3-2-11;/h5-8,12H,2-4H2,1H3;1H.
What are the key properties of 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 259.72 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126967961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).