5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine

C11H14FN3 — CID 166894733

IUPAC5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1C1=CC=C(F)CC1C
InChIInChI=1S/C11H14FN3/c1-6-5-8(12)3-4-9(6)10-7(2)11(13)15-14-10/h3-4,6H,5H2,1-2H3,(H3,13,14,15)
InChIKeyPVMDKGUCNMPRSR-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.58
Rot. Bonds1

About 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine

5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 166894733) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine
PubChem CID166894733
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1C1=CC=C(F)CC1C
InChIInChI=1S/C11H14FN3/c1-6-5-8(12)3-4-9(6)10-7(2)11(13)15-14-10/h3-4,6H,5H2,1-2H3,(H3,13,14,15)
InChIKeyPVMDKGUCNMPRSR-UHFFFAOYSA-N
XLogP2.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine (CID 166894733) is 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1C1=CC=C(F)CC1C.
What is the InChIKey of 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is PVMDKGUCNMPRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-6-5-8(12)3-4-9(6)10-7(2)11(13)15-14-10/h3-4,6H,5H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine?
5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine has a molecular weight of 207.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 166894733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).