N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride

C10H13ClFN3S — CID 126967451

IUPACN-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)cc1NCc1ccc(F)s1.Cl
InChIInChI=1S/C10H12FN3S.ClH/c1-7-9(6-14(2)13-7)12-5-8-3-4-10(11)15-8;/h3-4,6,12H,5H2,1-2H3;1H
InChIKeyRNIZUGKDXHOPLV-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.96
Rot. Bonds3

About N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride

N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 126967451) has the molecular formula C10H13ClFN3S and a molecular weight of 261.75 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
PubChem CID126967451
Molecular FormulaC10H13ClFN3S
Molecular Weight261.75 g/mol
Exact Mass261.05
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)cc1NCc1ccc(F)s1.Cl
InChIInChI=1S/C10H12FN3S.ClH/c1-7-9(6-14(2)13-7)12-5-8-3-4-10(11)15-8;/h3-4,6,12H,5H2,1-2H3;1H
InChIKeyRNIZUGKDXHOPLV-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid
CID 122165760
N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126964997
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine
CID 104954383
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122169129
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 171156653
1-ethyl-N-[(5-fluorothiophen-2-yl)methyl]-4-methylpyrazol-3-amine
CID 122165715
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine
CID 122167215
N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
CID 126966943
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
2-[5-[(5-fluorothiophen-2-yl)methylamino]-3-methylpyrazol-1-yl]acetic acid;hydrochloride
CID 126968101
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride (CID 126967451) is N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride is Cc1nn(C)cc1NCc1ccc(F)s1.Cl.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is RNIZUGKDXHOPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3S.ClH/c1-7-9(6-14(2)13-7)12-5-8-3-4-10(11)15-8;/h3-4,6,12H,5H2,1-2H3;1H.
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride?
N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126967451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).