N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine

C10H11FN4 — CID 130495996

IUPACN-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine
SMILESCCn1ccc(Nc2ccnc(F)c2)n1
InChIInChI=1S/C10H11FN4/c1-2-15-6-4-10(14-15)13-8-3-5-12-9(11)7-8/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyYTCQBXHNMIIBJB-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.18
Rot. Bonds3

About N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine

N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine (PubChem CID 130495996) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine
PubChem CID130495996
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC NameN-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine
SMILESCCn1ccc(Nc2ccnc(F)c2)n1
InChIInChI=1S/C10H11FN4/c1-2-15-6-4-10(14-15)13-8-3-5-12-9(11)7-8/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyYTCQBXHNMIIBJB-UHFFFAOYSA-N
XLogP2.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine (CID 130495996) is N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine is CCn1ccc(Nc2ccnc(F)c2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine?
The InChIKey is YTCQBXHNMIIBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-2-15-6-4-10(14-15)13-8-3-5-12-9(11)7-8/h3-7H,2H2,1H3,(H,12,13,14).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine?
N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine has a molecular weight of 206.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine is sourced from PubChem (CID 130495996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).