2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine

C11H16N4 — CID 96618338

IUPAC2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine
SMILESCc1cc[nH]c1Cc1cn[nH]c1CCN
InChIInChI=1S/C11H16N4/c1-8-3-5-13-11(8)6-9-7-14-15-10(9)2-4-12/h3,5,7,13H,2,4,6,12H2,1H3,(H,14,15)
InChIKeyWJSNTDSRBSOQDE-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.14
Rot. Bonds4

About 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine

2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine (PubChem CID 96618338) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine
PubChem CID96618338
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine
SMILESCc1cc[nH]c1Cc1cn[nH]c1CCN
InChIInChI=1S/C11H16N4/c1-8-3-5-13-11(8)6-9-7-14-15-10(9)2-4-12/h3,5,7,13H,2,4,6,12H2,1H3,(H,14,15)
InChIKeyWJSNTDSRBSOQDE-UHFFFAOYSA-N
XLogP1.14
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine
CID 82387850
2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine
CID 96595056
2-[4-(furan-2-ylmethyl)-1H-pyrazol-5-yl]ethanamine
CID 96624702
2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine
CID 96618564
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 86301376
3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine
CID 105423190
2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 62041099
4,5-dipentyl-1H-pyrazole
CID 66669086
5-butyl-4-ethyl-1H-pyrazole
CID 147341447
2,4-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)pentan-3-one
CID 90767328
2-(7H-pyrrolo[3,2-g]isoquinolin-8-yl)ethanamine
CID 137258721
2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanamine
CID 39222030

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine (CID 96618338) is 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine is Cc1cc[nH]c1Cc1cn[nH]c1CCN.
What is the InChIKey of 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine?
The InChIKey is WJSNTDSRBSOQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-3-5-13-11(8)6-9-7-14-15-10(9)2-4-12/h3,5,7,13H,2,4,6,12H2,1H3,(H,14,15).
What are the key properties of 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine?
2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine has a molecular weight of 204.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 96618338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).