azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C21H28FN5 — CID 174449300

IUPACazane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCCC(CC)(CC)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.N
InChIInChI=1S/C21H25FN4.H3N/c1-4-21(5-2,6-3)24-20-18(15-11-13-23-14-12-15)19(25-26-20)16-7-9-17(22)10-8-16;/h7-14H,4-6H2,1-3H3,(H2,24,25,26);1H3
InChIKeyOWGSDZZLARMIOF-UHFFFAOYSA-N
MW369.49 g/mol
LogP5.82
Rot. Bonds7

About azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 174449300) has the molecular formula C21H28FN5 and a molecular weight of 369.49 g/mol. Its IUPAC name is azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Nameazane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID174449300
Molecular FormulaC21H28FN5
Molecular Weight369.49 g/mol
Exact Mass369.23
IUPAC Nameazane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCCC(CC)(CC)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.N
InChIInChI=1S/C21H25FN4.H3N/c1-4-21(5-2,6-3)24-20-18(15-11-13-23-14-12-15)19(25-26-20)16-7-9-17(22)10-8-16;/h7-14H,4-6H2,1-3H3,(H2,24,25,26);1H3
InChIKeyOWGSDZZLARMIOF-UHFFFAOYSA-N
XLogP5.82
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 174449300) is azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is CCC(CC)(CC)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.N.
What is the InChIKey of azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is OWGSDZZLARMIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4.H3N/c1-4-21(5-2,6-3)24-20-18(15-11-13-23-14-12-15)19(25-26-20)16-7-9-17(22)10-8-16;/h7-14H,4-6H2,1-3H3,(H2,24,25,26);1H3.
What are the key properties of azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 369.49 g/mol, XLogP of 5.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 174449300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).