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

C21H25FN4 — CID 174449301

IUPACN-(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
InChIInChI=1S/C21H25FN4/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)
InChIKeyVDZQKHKEXXKDKR-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.66
Rot. Bonds7

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

N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 174449301) has the molecular formula C21H25FN4 and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID174449301
Molecular FormulaC21H25FN4
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC NameN-(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
InChIInChI=1S/C21H25FN4/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)
InChIKeyVDZQKHKEXXKDKR-UHFFFAOYSA-N
XLogP5.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 174449301) is N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 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.
What is the InChIKey of N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is VDZQKHKEXXKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4/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).
What are the key properties of N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 352.46 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 174449301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).