N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine

C17H21FN4 — CID 166511085

IUPACN-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine
SMILESCC(C)c1cnn(C2CC2)c1-c1ccc(NC2CC2)nc1F
InChIInChI=1S/C17H21FN4/c1-10(2)14-9-19-22(12-5-6-12)16(14)13-7-8-15(21-17(13)18)20-11-3-4-11/h7-12H,3-6H2,1-2H3,(H,20,21)
InChIKeyCBCMFJVAEHFHOX-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.12
Rot. Bonds5

About N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine

N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine (PubChem CID 166511085) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine
PubChem CID166511085
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC NameN-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine
SMILESCC(C)c1cnn(C2CC2)c1-c1ccc(NC2CC2)nc1F
InChIInChI=1S/C17H21FN4/c1-10(2)14-9-19-22(12-5-6-12)16(14)13-7-8-15(21-17(13)18)20-11-3-4-11/h7-12H,3-6H2,1-2H3,(H,20,21)
InChIKeyCBCMFJVAEHFHOX-UHFFFAOYSA-N
XLogP4.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.12
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-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine?
The IUPAC name of N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine (CID 166511085) is N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine is CC(C)c1cnn(C2CC2)c1-c1ccc(NC2CC2)nc1F.
What is the InChIKey of N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine?
The InChIKey is CBCMFJVAEHFHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-10(2)14-9-19-22(12-5-6-12)16(14)13-7-8-15(21-17(13)18)20-11-3-4-11/h7-12H,3-6H2,1-2H3,(H,20,21).
What are the key properties of N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine?
N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(1-cyclopropyl-4-propan-2-ylpyrazol-5-yl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 166511085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).