N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride

C10H14ClN3S — CID 126966027

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.Cn1cc(CNCc2cccs2)cn1
InChIInChI=1S/C10H13N3S.ClH/c1-13-8-9(6-12-13)5-11-7-10-3-2-4-14-10;/h2-4,6,8,11H,5,7H2,1H3;1H
InChIKeyDGTOILRIJUURFT-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.19
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride

N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 126966027) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
PubChem CID126966027
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.Cn1cc(CNCc2cccs2)cn1
InChIInChI=1S/C10H13N3S.ClH/c1-13-8-9(6-12-13)5-11-7-10-3-2-4-14-10;/h2-4,6,8,11H,5,7H2,1H3;1H
InChIKeyDGTOILRIJUURFT-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 126966764
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CID 35524940
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61350621
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116793711
2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62582122
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 102834954
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride (CID 126966027) is N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride is Cl.Cn1cc(CNCc2cccs2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is DGTOILRIJUURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S.ClH/c1-13-8-9(6-12-13)5-11-7-10-3-2-4-14-10;/h2-4,6,8,11H,5,7H2,1H3;1H.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 243.76 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 126966027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).