N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine

C19H19N5 — CID 163820389

IUPACN-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccn(C3=CCCC=C3)n2)nn1-c1ccccc1
InChIInChI=1S/C19H19N5/c1-15-14-19(22-24(15)17-10-6-3-7-11-17)20-18-12-13-23(21-18)16-8-4-2-5-9-16/h3-4,6-14H,2,5H2,1H3,(H,20,21,22)
InChIKeyNUWSTYPXTHNHAW-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.31
Rot. Bonds4

About N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine

N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine (PubChem CID 163820389) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine
PubChem CID163820389
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine
SMILESCc1cc(Nc2ccn(C3=CCCC=C3)n2)nn1-c1ccccc1
InChIInChI=1S/C19H19N5/c1-15-14-19(22-24(15)17-10-6-3-7-11-17)20-18-12-13-23(21-18)16-8-4-2-5-9-16/h3-4,6-14H,2,5H2,1H3,(H,20,21,22)
InChIKeyNUWSTYPXTHNHAW-UHFFFAOYSA-N
XLogP4.31
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine?
The IUPAC name of N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine (CID 163820389) is N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine.
What is the SMILES notation for N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine?
The canonical SMILES for N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine is Cc1cc(Nc2ccn(C3=CCCC=C3)n2)nn1-c1ccccc1.
What is the InChIKey of N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine?
The InChIKey is NUWSTYPXTHNHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-15-14-19(22-24(15)17-10-6-3-7-11-17)20-18-12-13-23(21-18)16-8-4-2-5-9-16/h3-4,6-14H,2,5H2,1H3,(H,20,21,22).
What are the key properties of N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine?
N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine has a molecular weight of 317.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-1,5-dien-1-ylpyrazol-3-yl)-5-methyl-1-phenylpyrazol-3-amine is sourced from PubChem (CID 163820389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).