1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride

C11H15ClFN3S — CID 126963998

IUPAC1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride
SMILESCCn1nccc1CNCc1ccc(F)s1.Cl
InChIInChI=1S/C11H14FN3S.ClH/c1-2-15-9(5-6-14-15)7-13-8-10-3-4-11(12)16-10;/h3-6,13H,2,7-8H2,1H3;1H
InChIKeyWYOBLXMQYOBVQE-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.82
Rot. Bonds5

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

1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride (PubChem CID 126963998) has the molecular formula C11H15ClFN3S and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride
PubChem CID126963998
Molecular FormulaC11H15ClFN3S
Molecular Weight275.78 g/mol
Exact Mass275.07
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride
SMILESCCn1nccc1CNCc1ccc(F)s1.Cl
InChIInChI=1S/C11H14FN3S.ClH/c1-2-15-9(5-6-14-15)7-13-8-10-3-4-11(12)16-10;/h3-6,13H,2,7-8H2,1H3;1H
InChIKeyWYOBLXMQYOBVQE-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 115761620
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115762272
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
1-(1-ethylpyrazol-3-yl)-N-[(2-ethylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965982
N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113334932
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
1-(5-fluorothiophen-2-yl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]methanamine
CID 122165846

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride (CID 126963998) is 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride is CCn1nccc1CNCc1ccc(F)s1.Cl.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride?
The InChIKey is WYOBLXMQYOBVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3S.ClH/c1-2-15-9(5-6-14-15)7-13-8-10-3-4-11(12)16-10;/h3-6,13H,2,7-8H2,1H3;1H.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride?
1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126963998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).