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

C11H17ClFN5 — CID 126963928

IUPACN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1nccc1CNCc1cnn(CCF)c1
InChIInChI=1S/C11H16FN5.ClH/c1-16-11(2-4-14-16)8-13-6-10-7-15-17(9-10)5-3-12;/h2,4,7,9,13H,3,5-6,8H2,1H3;1H
InChIKeyJFRGHQQKBZCGCJ-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.30
Rot. Bonds6

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

N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126963928) has the molecular formula C11H17ClFN5 and a molecular weight of 273.74 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID126963928
Molecular FormulaC11H17ClFN5
Molecular Weight273.74 g/mol
Exact Mass273.12
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1nccc1CNCc1cnn(CCF)c1
InChIInChI=1S/C11H16FN5.ClH/c1-16-11(2-4-14-16)8-13-6-10-7-15-17(9-10)5-3-12;/h2,4,7,9,13H,3,5-6,8H2,1H3;1H
InChIKeyJFRGHQQKBZCGCJ-UHFFFAOYSA-N
XLogP1.30
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166954
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126968198
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122166848
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126966351
1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
CID 122168259
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 103014934
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride (CID 126963928) is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride is Cl.Cn1nccc1CNCc1cnn(CCF)c1.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is JFRGHQQKBZCGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5.ClH/c1-16-11(2-4-14-16)8-13-6-10-7-15-17(9-10)5-3-12;/h2,4,7,9,13H,3,5-6,8H2,1H3;1H.
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride?
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 273.74 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126963928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).