1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine

C9H13N5 — CID 106562338

IUPAC1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine
SMILESCCn1cc(C)nc1Nc1cn[nH]c1
InChIInChI=1S/C9H13N5/c1-3-14-6-7(2)12-9(14)13-8-4-10-11-5-8/h4-6H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyZSIGZZIZOAMCDZ-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.68
Rot. Bonds3

About 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine

1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine (PubChem CID 106562338) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine
PubChem CID106562338
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine
SMILESCCn1cc(C)nc1Nc1cn[nH]c1
InChIInChI=1S/C9H13N5/c1-3-14-6-7(2)12-9(14)13-8-4-10-11-5-8/h4-6H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyZSIGZZIZOAMCDZ-UHFFFAOYSA-N
XLogP1.68
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine?
The IUPAC name of 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine (CID 106562338) is 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine is CCn1cc(C)nc1Nc1cn[nH]c1.
What is the InChIKey of 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine?
The InChIKey is ZSIGZZIZOAMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-3-14-6-7(2)12-9(14)13-8-4-10-11-5-8/h4-6H,3H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine?
1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine has a molecular weight of 191.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine is sourced from PubChem (CID 106562338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).