1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine

C9H13N5 — CID 102806061

IUPAC1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine
SMILESCc1nn(C)cc1Nc1nccn1C
InChIInChI=1S/C9H13N5/c1-7-8(6-14(3)12-7)11-9-10-4-5-13(9)2/h4-6H,1-3H3,(H,10,11)
InChIKeyBAQGJGAKISTLRT-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.21
Rot. Bonds2

About 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine

1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine (PubChem CID 102806061) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine
PubChem CID102806061
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine
SMILESCc1nn(C)cc1Nc1nccn1C
InChIInChI=1S/C9H13N5/c1-7-8(6-14(3)12-7)11-9-10-4-5-13(9)2/h4-6H,1-3H3,(H,10,11)
InChIKeyBAQGJGAKISTLRT-UHFFFAOYSA-N
XLogP1.21
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine (CID 102806061) is 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine is Cc1nn(C)cc1Nc1nccn1C.
What is the InChIKey of 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine?
The InChIKey is BAQGJGAKISTLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7-8(6-14(3)12-7)11-9-10-4-5-13(9)2/h4-6H,1-3H3,(H,10,11).
What are the key properties of 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine?
1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine has a molecular weight of 191.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 102806061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).