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

C9H11ClFN3S — CID 126964997

IUPACN-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
SMILESCl.Cn1ccc(NCc2ccc(F)s2)n1
InChIInChI=1S/C9H10FN3S.ClH/c1-13-5-4-9(12-13)11-6-7-2-3-8(10)14-7;/h2-5H,6H2,1H3,(H,11,12);1H
InChIKeyBLCDAMUSYPKTKS-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.65
Rot. Bonds3

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

N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride (PubChem CID 126964997) has the molecular formula C9H11ClFN3S and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
PubChem CID126964997
Molecular FormulaC9H11ClFN3S
Molecular Weight247.73 g/mol
Exact Mass247.03
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
SMILESCl.Cn1ccc(NCc2ccc(F)s2)n1
InChIInChI=1S/C9H10FN3S.ClH/c1-13-5-4-9(12-13)11-6-7-2-3-8(10)14-7;/h2-5H,6H2,1H3,(H,11,12);1H
InChIKeyBLCDAMUSYPKTKS-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
CID 126966943
N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
CID 60808995
1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967016
N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126967451
3-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 122165729
4-[(5-fluorothiophen-2-yl)methylamino]-1-methylpyrazole-3-carboxylic acid
CID 122165760
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126966257
1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine
CID 130599823
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126967785
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrazol-3-amine
CID 115711122
1-methyl-N-[[2,4,6-trimethyl-3-[[(1-methylpyrazol-3-yl)amino]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]methyl]phenyl]methyl]pyrazol-3-amine
CID 122206251

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride (CID 126964997) is N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride is Cl.Cn1ccc(NCc2ccc(F)s2)n1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride?
The InChIKey is BLCDAMUSYPKTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3S.ClH/c1-13-5-4-9(12-13)11-6-7-2-3-8(10)14-7;/h2-5H,6H2,1H3,(H,11,12);1H.
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride?
N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 2.65, 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-methylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126964997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).