1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine

C12H18N4 — CID 66405861

IUPAC1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1Cc1cnn(C)c1
InChIInChI=1S/C12H18N4/c1-10(13)6-12-4-3-5-16(12)9-11-7-14-15(2)8-11/h3-5,7-8,10H,6,9,13H2,1-2H3
InChIKeyOHKFFLGULWQYJE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.16
Rot. Bonds4

About 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine

1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine (PubChem CID 66405861) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine
PubChem CID66405861
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1Cc1cnn(C)c1
InChIInChI=1S/C12H18N4/c1-10(13)6-12-4-3-5-16(12)9-11-7-14-15(2)8-11/h3-5,7-8,10H,6,9,13H2,1-2H3
InChIKeyOHKFFLGULWQYJE-UHFFFAOYSA-N
XLogP1.16
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406488
1-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 66404865
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
CID 103015071
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine
CID 66404862
1-[(1-methylpyrazol-4-yl)methyl]indole
CID 55238822
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine
CID 115518326
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698
(1R)-1-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104942643

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine (CID 66405861) is 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine is CC(N)Cc1cccn1Cc1cnn(C)c1.
What is the InChIKey of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine?
The InChIKey is OHKFFLGULWQYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(13)6-12-4-3-5-16(12)9-11-7-14-15(2)8-11/h3-5,7-8,10H,6,9,13H2,1-2H3.
What are the key properties of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine?
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 66405861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).