1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine

C13H20N4 — CID 103015071

IUPAC1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1CCc1ccnn1C
InChIInChI=1S/C13H20N4/c1-11(14)10-13-4-3-8-17(13)9-6-12-5-7-15-16(12)2/h3-5,7-8,11H,6,9-10,14H2,1-2H3
InChIKeyLITHBQRULMFSCR-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.35
Rot. Bonds5

About 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine (PubChem CID 103015071) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
PubChem CID103015071
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1CCc1ccnn1C
InChIInChI=1S/C13H20N4/c1-11(14)10-13-4-3-8-17(13)9-6-12-5-7-15-16(12)2/h3-5,7-8,11H,6,9-10,14H2,1-2H3
InChIKeyLITHBQRULMFSCR-UHFFFAOYSA-N
XLogP1.35
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine
CID 115518326
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036
1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine
CID 66406679
1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine
CID 103020461
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine
CID 66405861
N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107018140
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405263
1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine
CID 66404862
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
CID 103015554

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine (CID 103015071) is 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine is CC(N)Cc1cccn1CCc1ccnn1C.
What is the InChIKey of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine?
The InChIKey is LITHBQRULMFSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11(14)10-13-4-3-8-17(13)9-6-12-5-7-15-16(12)2/h3-5,7-8,11H,6,9-10,14H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine?
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 103015071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).