N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

C13H18ClN3S — CID 79492694

IUPACN-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(C)nc1-c1ccc(Cl)s1
InChIInChI=1S/C13H18ClN3S/c1-9(2)6-15-7-10-8-17(3)16-13(10)11-4-5-12(14)18-11/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyKOFUZYAQQRYDNF-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.55
Rot. Bonds5

About N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79492694) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79492694
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC NameN-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(C)nc1-c1ccc(Cl)s1
InChIInChI=1S/C13H18ClN3S/c1-9(2)6-15-7-10-8-17(3)16-13(10)11-4-5-12(14)18-11/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyKOFUZYAQQRYDNF-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-bromothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107355504
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492888
N-[[3-(2-chloro-4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79493394
2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 79493289
4-[3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine
CID 123388846
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469660
[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-4-yl]methanamine
CID 79485670
N-[[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114854309
N-[[3-(5-chlorothiophen-3-yl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 114083068
(2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol
CID 94801143
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 98753299

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79492694) is N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cn(C)nc1-c1ccc(Cl)s1.
What is the InChIKey of N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KOFUZYAQQRYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-9(2)6-15-7-10-8-17(3)16-13(10)11-4-5-12(14)18-11/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.83 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79492694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).