1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride

C11H16ClN3S — CID 126967736

IUPAC1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2cccs2)cn1.Cl
InChIInChI=1S/C11H15N3S.ClH/c1-2-5-14-9-10(7-13-14)12-8-11-4-3-6-15-11;/h3-4,6-7,9,12H,2,5,8H2,1H3;1H
InChIKeyAOLRERSAMRUCJG-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.39
Rot. Bonds5

About 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride

1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride (PubChem CID 126967736) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride
PubChem CID126967736
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2cccs2)cn1.Cl
InChIInChI=1S/C11H15N3S.ClH/c1-2-5-14-9-10(7-13-14)12-8-11-4-3-6-15-11;/h3-4,6-7,9,12H,2,5,8H2,1H3;1H
InChIKeyAOLRERSAMRUCJG-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 115777686
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 115749372
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167629
2-methyl-N-(1-propylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 136562597
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965016
N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 79420154
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride (CID 126967736) is 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride is CCCn1cc(NCc2cccs2)cn1.Cl.
What is the InChIKey of 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is AOLRERSAMRUCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S.ClH/c1-2-5-14-9-10(7-13-14)12-8-11-4-3-6-15-11;/h3-4,6-7,9,12H,2,5,8H2,1H3;1H.
What are the key properties of 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride?
1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 257.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126967736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).