N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine

C13H20N4 — CID 122168776

IUPACN-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
SMILESCC(C)n1ccc(CNCc2cccn2C)n1
InChIInChI=1S/C13H20N4/c1-11(2)17-8-6-12(15-17)9-14-10-13-5-4-7-16(13)3/h4-8,11,14H,9-10H2,1-3H3
InChIKeyBKXCFQHTQCVLHW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds5

About N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine

N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine (PubChem CID 122168776) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
PubChem CID122168776
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
SMILESCC(C)n1ccc(CNCc2cccn2C)n1
InChIInChI=1S/C13H20N4/c1-11(2)17-8-6-12(15-17)9-14-10-13-5-4-7-16(13)3/h4-8,11,14H,9-10H2,1-3H3
InChIKeyBKXCFQHTQCVLHW-UHFFFAOYSA-N
XLogP2.09
TPSA34.78 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122167384
N-[(2-ethylpyrazol-3-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126964762
N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 2996982
3-iodo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 114503659
N,N-dimethyl-4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168247
1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 62131520
3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride
CID 126966507
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122169111
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757469
1-(2,4-difluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64687357

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine (CID 122168776) is N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine is CC(C)n1ccc(CNCc2cccn2C)n1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine?
The InChIKey is BKXCFQHTQCVLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11(2)17-8-6-12(15-17)9-14-10-13-5-4-7-16(13)3/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine?
N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine has a molecular weight of 232.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 122168776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).