5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine

C12H18N4 — CID 115735769

IUPAC5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCc2cccn2C)c1C
InChIInChI=1S/C12H18N4/c1-4-11-9(2)12(15-14-11)13-8-10-6-5-7-16(10)3/h5-7H,4,8H2,1-3H3,(H2,13,14,15)
InChIKeyCVESAJUTOLYJAR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.23
Rot. Bonds4

About 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine

5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine (PubChem CID 115735769) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine
PubChem CID115735769
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NCc2cccn2C)c1C
InChIInChI=1S/C12H18N4/c1-4-11-9(2)12(15-14-11)13-8-10-6-5-7-16(10)3/h5-7H,4,8H2,1-3H3,(H2,13,14,15)
InChIKeyCVESAJUTOLYJAR-UHFFFAOYSA-N
XLogP2.23
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine (CID 115735769) is 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine is CCc1[nH]nc(NCc2cccn2C)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine?
The InChIKey is CVESAJUTOLYJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-11-9(2)12(15-14-11)13-8-10-6-5-7-16(10)3/h5-7H,4,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine has a molecular weight of 218.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115735769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).