N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine

C12H16N4 — CID 106937029

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESC=Cn1cc(CNn2c(C)ccc2C)cn1
InChIInChI=1S/C12H16N4/c1-4-15-9-12(7-13-15)8-14-16-10(2)5-6-11(16)3/h4-7,9,14H,1,8H2,2-3H3
InChIKeyPDAUDQKVPXJTMA-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.15
Rot. Bonds4

About N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 106937029) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID106937029
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESC=Cn1cc(CNn2c(C)ccc2C)cn1
InChIInChI=1S/C12H16N4/c1-4-15-9-12(7-13-15)8-14-16-10(2)5-6-11(16)3/h4-7,9,14H,1,8H2,2-3H3
InChIKeyPDAUDQKVPXJTMA-UHFFFAOYSA-N
XLogP2.15
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-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-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 106936572
(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106937098
N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine
CID 106935180
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 106936465
N-[(1-ethenylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 106936577
2-bromo-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935327
3-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylbenzenesulfonamide
CID 106936560
2-chloro-N-[(1-ethenylpyrazol-4-yl)methyl]-5-methylaniline
CID 107094615

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine (CID 106937029) is N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine is C=Cn1cc(CNn2c(C)ccc2C)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is PDAUDQKVPXJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-15-9-12(7-13-15)8-14-16-10(2)5-6-11(16)3/h4-7,9,14H,1,8H2,2-3H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 216.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 106937029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).