1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine

C14H14N4 — CID 71040968

IUPAC1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine
SMILESNc1cc(-c2ccncc2)nn1C1=CCCC=C1
InChIInChI=1S/C14H14N4/c15-14-10-13(11-6-8-16-9-7-11)17-18(14)12-4-2-1-3-5-12/h2,4-10H,1,3,15H2
InChIKeyDUWKXVCIIZFYPR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.72
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine

1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine (PubChem CID 71040968) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine
PubChem CID71040968
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine
SMILESNc1cc(-c2ccncc2)nn1C1=CCCC=C1
InChIInChI=1S/C14H14N4/c15-14-10-13(11-6-8-16-9-7-11)17-18(14)12-4-2-1-3-5-12/h2,4-10H,1,3,15H2
InChIKeyDUWKXVCIIZFYPR-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-pyridin-4-ylpyrazol-5-amine
CID 67496076
3-phenyl-1-pyrimidin-4-ylpyrazol-5-amine
CID 79823189
1-(1H-imidazol-2-yl)-3-phenylpyrazol-5-amine
CID 13001644
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 43542633
1-cyclohexa-1,5-dien-1-yltriazole
CID 175248271
methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate
CID 67496798
3-(4-iodophenyl)-1-phenylpyrazol-5-amine
CID 43336728
N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]pyridine-4-carboxamide
CID 170596427
3-(2,4-dichlorophenyl)-1-pyridin-4-ylpyrazol-5-amine
CID 43543157
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
3-(4-chlorophenyl)-1-pyridin-2-ylpyrazol-5-amine
CID 43381333
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 1478026

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine (CID 71040968) is 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine is Nc1cc(-c2ccncc2)nn1C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine?
The InChIKey is DUWKXVCIIZFYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-14-10-13(11-6-8-16-9-7-11)17-18(14)12-4-2-1-3-5-12/h2,4-10H,1,3,15H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine?
1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 71040968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).