N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine

C15H23N3S — CID 115807394

IUPACN-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)c1sccc1C
InChIInChI=1S/C15H23N3S/c1-4-7-16-14(15-12(3)6-9-19-15)13-10-17-18(11-13)8-5-2/h6,9-11,14,16H,4-5,7-8H2,1-3H3
InChIKeyYBWPBZAWFVZHAL-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.75
Rot. Bonds7

About N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine

N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115807394) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115807394
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)c1sccc1C
InChIInChI=1S/C15H23N3S/c1-4-7-16-14(15-12(3)6-9-19-15)13-10-17-18(11-13)8-5-2/h6,9-11,14,16H,4-5,7-8H2,1-3H3
InChIKeyYBWPBZAWFVZHAL-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115815713
N-[(5-methylfuran-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807959
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(3-chloro-4-methylthiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103405377
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
N-[(3-chloro-2-methylphenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 107102084
N-[(3,4-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807966
N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104037
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81153035
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327
N-[2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115821369

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine (CID 115807394) is N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(CCC)c1)c1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is YBWPBZAWFVZHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-7-16-14(15-12(3)6-9-19-15)13-10-17-18(11-13)8-5-2/h6,9-11,14,16H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115807394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).