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

C14H21N3S — CID 103030584

IUPAC1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCc1ccsc1C(CCc1ccnn1C)NC
InChIInChI=1S/C14H21N3S/c1-4-11-8-10-18-14(11)13(15-2)6-5-12-7-9-16-17(12)3/h7-10,13,15H,4-6H2,1-3H3
InChIKeyFVVFNVIEUNBUOU-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.94
Rot. Bonds6

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

1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030584) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030584
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCc1ccsc1C(CCc1ccnn1C)NC
InChIInChI=1S/C14H21N3S/c1-4-11-8-10-18-14(11)13(15-2)6-5-12-7-9-16-17(12)3/h7-10,13,15H,4-6H2,1-3H3
InChIKeyFVVFNVIEUNBUOU-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-ethylthiophen-2-yl)-N,4,4-trimethylpentan-1-amine
CID 115849879
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518
1-(furan-3-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010290
N-methyl-3-(2-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)propan-1-amine
CID 103030587
1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030434
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
N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030866
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
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-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030584) is 1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CCc1ccsc1C(CCc1ccnn1C)NC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is FVVFNVIEUNBUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-11-8-10-18-14(11)13(15-2)6-5-12-7-9-16-17(12)3/h7-10,13,15H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).