N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine

C15H19N5S — CID 43791812

IUPACN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NC(c1cccs1)c1nccn1C
InChIInChI=1S/C15H19N5S/c1-12(11-20-8-4-6-17-20)18-14(13-5-3-10-21-13)15-16-7-9-19(15)2/h3-10,12,14,18H,11H2,1-2H3
InChIKeyYUSQBRZTJKMQKB-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.45
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43791812) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43791812
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NC(c1cccs1)c1nccn1C
InChIInChI=1S/C15H19N5S/c1-12(11-20-8-4-6-17-20)18-14(13-5-3-10-21-13)15-16-7-9-19(15)2/h3-10,12,14,18H,11H2,1-2H3
InChIKeyYUSQBRZTJKMQKB-UHFFFAOYSA-N
XLogP2.45
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine
CID 63981936
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61349832
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine (CID 43791812) is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NC(c1cccs1)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is YUSQBRZTJKMQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-12(11-20-8-4-6-17-20)18-14(13-5-3-10-21-13)15-16-7-9-19(15)2/h3-10,12,14,18H,11H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 301.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43791812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).