2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline

C17H19N3S — CID 43693800

IUPAC2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1ccccc1Cn1cccn1)c1cccs1
InChIInChI=1S/C17H19N3S/c1-2-15(17-9-5-12-21-17)19-16-8-4-3-7-14(16)13-20-11-6-10-18-20/h3-12,15,19H,2,13H2,1H3
InChIKeyUSCNMRWPXRGGSK-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.56
Rot. Bonds6

About 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline

2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 43693800) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID43693800
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1ccccc1Cn1cccn1)c1cccs1
InChIInChI=1S/C17H19N3S/c1-2-15(17-9-5-12-21-17)19-16-8-4-3-7-14(16)13-20-11-6-10-18-20/h3-12,15,19H,2,13H2,1H3
InChIKeyUSCNMRWPXRGGSK-UHFFFAOYSA-N
XLogP4.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
CID 43692049
methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate
CID 66173912
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 43764558
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111852198
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one
CID 43106173
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
CID 43693822
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline (CID 43693800) is 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1ccccc1Cn1cccn1)c1cccs1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is USCNMRWPXRGGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-15(17-9-5-12-21-17)19-16-8-4-3-7-14(16)13-20-11-6-10-18-20/h3-12,15,19H,2,13H2,1H3.
What are the key properties of 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline?
2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 297.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43693800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).