1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride

C11H17ClFN5 — CID 126968159

IUPAC1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
SMILESCc1cnn(CCF)c1NCc1cnn(C)c1.Cl
InChIInChI=1S/C11H16FN5.ClH/c1-9-5-15-17(4-3-12)11(9)13-6-10-7-14-16(2)8-10;/h5,7-8,13H,3-4,6H2,1-2H3;1H
InChIKeyIKTPENZNVPFTDL-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride

1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride (PubChem CID 126968159) has the molecular formula C11H17ClFN5 and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
PubChem CID126968159
Molecular FormulaC11H17ClFN5
Molecular Weight273.74 g/mol
Exact Mass273.12
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
SMILESCc1cnn(CCF)c1NCc1cnn(C)c1.Cl
InChIInChI=1S/C11H16FN5.ClH/c1-9-5-15-17(4-3-12)11(9)13-6-10-7-14-16(2)8-10;/h5,7-8,13H,3-4,6H2,1-2H3;1H
InChIKeyIKTPENZNVPFTDL-UHFFFAOYSA-N
XLogP1.93
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167597
1-(2-fluoroethyl)-4-methyl-N-propylpyrazol-5-amine
CID 122169037
1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
CID 122168272
4-[[[1-(2-fluoroethyl)-4-methylpyrazol-5-yl]amino]methyl]benzene-1,3-diol;hydrochloride
CID 126968314
1-(2-fluoroethyl)-4-methyl-N-pentylpyrazol-5-amine
CID 122168913
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 122166833
4-fluoro-5-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 103590050
1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
CID 126964008
1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964967
1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126963874
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride (CID 126968159) is 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride is Cc1cnn(CCF)c1NCc1cnn(C)c1.Cl.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride?
The InChIKey is IKTPENZNVPFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5.ClH/c1-9-5-15-17(4-3-12)11(9)13-6-10-7-14-16(2)8-10;/h5,7-8,13H,3-4,6H2,1-2H3;1H.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride?
1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride has a molecular weight of 273.74 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 126968159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).