1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride

C10H12ClF2N3S — CID 126965016

IUPAC1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.FCCn1cc(NCc2ccc(F)s2)cn1
InChIInChI=1S/C10H11F2N3S.ClH/c11-3-4-15-7-8(5-14-15)13-6-9-1-2-10(12)16-9;/h1-2,5,7,13H,3-4,6H2;1H
InChIKeyHLTBPNNNIGONNS-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride

1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126965016) has the molecular formula C10H12ClF2N3S and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126965016
Molecular FormulaC10H12ClF2N3S
Molecular Weight279.74 g/mol
Exact Mass279.04
IUPAC Name1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.FCCn1cc(NCc2ccc(F)s2)cn1
InChIInChI=1S/C10H11F2N3S.ClH/c11-3-4-15-7-8(5-14-15)13-6-9-1-2-10(12)16-9;/h1-2,5,7,13H,3-4,6H2;1H
InChIKeyHLTBPNNNIGONNS-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126965016) is 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride is Cl.FCCn1cc(NCc2ccc(F)s2)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is HLTBPNNNIGONNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S.ClH/c11-3-4-15-7-8(5-14-15)13-6-9-1-2-10(12)16-9;/h1-2,5,7,13H,3-4,6H2;1H.
What are the key properties of 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride?
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 279.74 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).