N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine

C11H16N4 — CID 66411904

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCCn1cccc1CNc1cnn(C)c1
InChIInChI=1S/C11H16N4/c1-3-15-6-4-5-11(15)8-12-10-7-13-14(2)9-10/h4-7,9,12H,3,8H2,1-2H3
InChIKeyOSMMHQGPZJBNTF-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.85
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine

N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 66411904) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID66411904
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCCn1cccc1CNc1cnn(C)c1
InChIInChI=1S/C11H16N4/c1-3-15-6-4-5-11(15)8-12-10-7-13-14(2)9-10/h4-7,9,12H,3,8H2,1-2H3
InChIKeyOSMMHQGPZJBNTF-UHFFFAOYSA-N
XLogP1.85
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine (CID 66411904) is N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine is CCn1cccc1CNc1cnn(C)c1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is OSMMHQGPZJBNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-15-6-4-5-11(15)8-12-10-7-13-14(2)9-10/h4-7,9,12H,3,8H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 204.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 66411904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).