4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine

C14H17N5 — CID 68673172

IUPAC4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine
SMILESCc1nn(C)cc1C1(N)c2ccccc2N=CC1N
InChIInChI=1S/C14H17N5/c1-9-11(8-19(2)18-9)14(16)10-5-3-4-6-12(10)17-7-13(14)15/h3-8,13H,15-16H2,1-2H3
InChIKeyYWFUNIGVXGYTMJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.97
Rot. Bonds1

About 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine

4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine (PubChem CID 68673172) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine
PubChem CID68673172
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine
SMILESCc1nn(C)cc1C1(N)c2ccccc2N=CC1N
InChIInChI=1S/C14H17N5/c1-9-11(8-19(2)18-9)14(16)10-5-3-4-6-12(10)17-7-13(14)15/h3-8,13H,15-16H2,1-2H3
InChIKeyYWFUNIGVXGYTMJ-UHFFFAOYSA-N
XLogP0.97
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine (CID 68673172) is 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine is Cc1nn(C)cc1C1(N)c2ccccc2N=CC1N.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine?
The InChIKey is YWFUNIGVXGYTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-11(8-19(2)18-9)14(16)10-5-3-4-6-12(10)17-7-13(14)15/h3-8,13H,15-16H2,1-2H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine?
4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine has a molecular weight of 255.32 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-3H-quinoline-3,4-diamine is sourced from PubChem (CID 68673172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).