N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C12H18N4 — CID 66398766

IUPACN-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1ccn(C)c1
InChIInChI=1S/C12H18N4/c1-11(9-16-6-3-5-14-16)13-8-12-4-7-15(2)10-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyBFVKKGSUGJLXTE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.40
Rot. Bonds5

About N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 66398766) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID66398766
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1ccn(C)c1
InChIInChI=1S/C12H18N4/c1-11(9-16-6-3-5-14-16)13-8-12-4-7-15(2)10-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyBFVKKGSUGJLXTE-UHFFFAOYSA-N
XLogP1.40
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 106936396
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 115867956
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
3-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 43435005
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 62095637

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 66398766) is N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCc1ccn(C)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is BFVKKGSUGJLXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-11(9-16-6-3-5-14-16)13-8-12-4-7-15(2)10-12/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 66398766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).