N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride

C11H16ClN3S — CID 126967664

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1nn(C)cc1CNCc1cccs1.Cl
InChIInChI=1S/C11H15N3S.ClH/c1-9-10(8-14(2)13-9)6-12-7-11-4-3-5-15-11;/h3-5,8,12H,6-7H2,1-2H3;1H
InChIKeyMKRRRSPMMMOQPU-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.50
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 126967664) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
PubChem CID126967664
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1nn(C)cc1CNCc1cccs1.Cl
InChIInChI=1S/C11H15N3S.ClH/c1-9-10(8-14(2)13-9)6-12-7-11-4-3-5-15-11;/h3-5,8,12H,6-7H2,1-2H3;1H
InChIKeyMKRRRSPMMMOQPU-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43818871
1-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 78928667
N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 34750200
1-(4-bromo-5-methylthiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 102837233
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 112549165
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanone
CID 102802696
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415660
N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 65199569
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269
N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62999179
2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 110905525

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride (CID 126967664) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride is Cc1nn(C)cc1CNCc1cccs1.Cl.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is MKRRRSPMMMOQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S.ClH/c1-9-10(8-14(2)13-9)6-12-7-11-4-3-5-15-11;/h3-5,8,12H,6-7H2,1-2H3;1H.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 257.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 126967664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).