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

C11H15ClFN3S — CID 126966943

IUPACN-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
SMILESCC(C)n1ccc(NCc2ccc(F)s2)n1.Cl
InChIInChI=1S/C11H14FN3S.ClH/c1-8(2)15-6-5-11(14-15)13-7-9-3-4-10(12)16-9;/h3-6,8H,7H2,1-2H3,(H,13,14);1H
InChIKeyPOVRORXOIBXRLU-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.70
Rot. Bonds4

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

N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride (PubChem CID 126966943) has the molecular formula C11H15ClFN3S and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
PubChem CID126966943
Molecular FormulaC11H15ClFN3S
Molecular Weight275.78 g/mol
Exact Mass275.07
IUPAC NameN-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
SMILESCC(C)n1ccc(NCc2ccc(F)s2)n1.Cl
InChIInChI=1S/C11H14FN3S.ClH/c1-8(2)15-6-5-11(14-15)13-7-9-3-4-10(12)16-9;/h3-6,8H,7H2,1-2H3,(H,13,14);1H
InChIKeyPOVRORXOIBXRLU-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126964997
1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967016
N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
CID 130496244
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 130496246
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
N-[(5-bromo-2-pyridinyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094567
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
N-[(4-bromo-3-methylphenyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094562
1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167539
N,1-di(propan-2-yl)pyrazol-3-amine
CID 130477356

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride (CID 126966943) is N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride is CC(C)n1ccc(NCc2ccc(F)s2)n1.Cl.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The InChIKey is POVRORXOIBXRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S.ClH/c1-8(2)15-6-5-11(14-15)13-7-9-3-4-10(12)16-9;/h3-6,8H,7H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride?
N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.70, 4 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-propan-2-ylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126966943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).