1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine

C12H19N5 — CID 102804515

IUPAC1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
SMILESCCCn1cncc1CNc1cn(C)nc1C
InChIInChI=1S/C12H19N5/c1-4-5-17-9-13-6-11(17)7-14-12-8-16(3)15-10(12)2/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyIFWIXIZEQZCZFQ-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.95
Rot. Bonds5

About 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine

1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 102804515) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
PubChem CID102804515
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
SMILESCCCn1cncc1CNc1cn(C)nc1C
InChIInChI=1S/C12H19N5/c1-4-5-17-9-13-6-11(17)7-14-12-8-16(3)15-10(12)2/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyIFWIXIZEQZCZFQ-UHFFFAOYSA-N
XLogP1.95
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.95
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-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine (CID 102804515) is 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine is CCCn1cncc1CNc1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is IFWIXIZEQZCZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-5-17-9-13-6-11(17)7-14-12-8-16(3)15-10(12)2/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine?
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 102804515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).