1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C12H16ClN3S — CID 103030434

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClN3S/c1-14-10(11-5-6-12(13)17-11)4-3-9-7-8-15-16(9)2/h5-8,10,14H,3-4H2,1-2H3
InChIKeyYCISVILYEFJUNF-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.03
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030434) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030434
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClN3S/c1-14-10(11-5-6-12(13)17-11)4-3-9-7-8-15-16(9)2/h5-8,10,14H,3-4H2,1-2H3
InChIKeyYCISVILYEFJUNF-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(2-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)propan-1-amine
CID 103030587
1-(furan-3-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010290
N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030866
N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009289
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030584
1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030633
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950192
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030570

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030434) is 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CNC(CCc1ccnn1C)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is YCISVILYEFJUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-14-10(11-5-6-12(13)17-11)4-3-9-7-8-15-16(9)2/h5-8,10,14H,3-4H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 269.80 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).