2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine

C10H13N5 — CID 138525754

IUPAC2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine
SMILESCC(C)=C1N=C(c2cnn(C)c2)N=C1N
InChIInChI=1S/C10H13N5/c1-6(2)8-9(11)14-10(13-8)7-4-12-15(3)5-7/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyYJMWNGUXJFZINW-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.83
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine

2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine (PubChem CID 138525754) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine
PubChem CID138525754
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine
SMILESCC(C)=C1N=C(c2cnn(C)c2)N=C1N
InChIInChI=1S/C10H13N5/c1-6(2)8-9(11)14-10(13-8)7-4-12-15(3)5-7/h4-5H,1-3H3,(H2,11,13,14)
InChIKeyYJMWNGUXJFZINW-UHFFFAOYSA-N
XLogP0.83
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine (CID 138525754) is 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine is CC(C)=C1N=C(c2cnn(C)c2)N=C1N.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine?
The InChIKey is YJMWNGUXJFZINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6(2)8-9(11)14-10(13-8)7-4-12-15(3)5-7/h4-5H,1-3H3,(H2,11,13,14).
What are the key properties of 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine?
2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine has a molecular weight of 203.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine is sourced from PubChem (CID 138525754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).