1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine

C12H18N4 — CID 66406488

IUPAC1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(Cc2cnn(C)c2)c1
InChIInChI=1S/C12H18N4/c1-10(13)5-11-3-4-16(8-11)9-12-6-14-15(2)7-12/h3-4,6-8,10H,5,9,13H2,1-2H3
InChIKeyJJZMSNOWFNWNLV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.16
Rot. Bonds4

About 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine

1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine (PubChem CID 66406488) 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-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
PubChem CID66406488
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(Cc2cnn(C)c2)c1
InChIInChI=1S/C12H18N4/c1-10(13)5-11-3-4-16(8-11)9-12-6-14-15(2)7-12/h3-4,6-8,10H,5,9,13H2,1-2H3
InChIKeyJJZMSNOWFNWNLV-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-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404482
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-2-yl]propan-2-amine
CID 66405861
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66404294
1-(1-propylpyrrol-3-yl)propan-2-amine
CID 14739640
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 79261244
4-[[3-(2-aminopropyl)pyrrol-1-yl]methyl]benzonitrile
CID 66404684
1-[1-(2-pyridin-4-ylethyl)pyrrol-3-yl]propan-2-amine
CID 66406292
1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine
CID 66406500
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406497
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66397357
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404476

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine (CID 66406488) is 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(Cc2cnn(C)c2)c1.
What is the InChIKey of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine?
The InChIKey is JJZMSNOWFNWNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(13)5-11-3-4-16(8-11)9-12-6-14-15(2)7-12/h3-4,6-8,10H,5,9,13H2,1-2H3.
What are the key properties of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine?
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-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-3-yl]propan-2-amine is sourced from PubChem (CID 66406488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).