cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine

C18H24F2N4 — CID 45270907

IUPACcis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine
SMILESCCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1
InChIInChI=1S/C18H24F2N4/c1-4-24-18(13-7-16(20)12(3)21-9-13)11(2)17(23-24)10-22-15-6-5-14(19)8-15/h7,9,14-15,22H,4-6,8,10H2,1-3H3/t14-,15+/m1/s1
InChIKeyIQQCTFIMWNYMOV-CABCVRRESA-N
MW334.41 g/mol
LogP3.70
Rot. Bonds5

About cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine

cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine (PubChem CID 45270907) has the molecular formula C18H24F2N4 and a molecular weight of 334.41 g/mol. Its IUPAC name is cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine
PubChem CID45270907
Molecular FormulaC18H24F2N4
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Namecis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine
SMILESCCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1
InChIInChI=1S/C18H24F2N4/c1-4-24-18(13-7-16(20)12(3)21-9-13)11(2)17(23-24)10-22-15-6-5-14(19)8-15/h7,9,14-15,22H,4-6,8,10H2,1-3H3/t14-,15+/m1/s1
InChIKeyIQQCTFIMWNYMOV-CABCVRRESA-N
XLogP3.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine (CID 45270907) is cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine is CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1.
What is the InChIKey of cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine?
The InChIKey is IQQCTFIMWNYMOV-CABCVRRESA-N. The full InChI is InChI=1S/C18H24F2N4/c1-4-24-18(13-7-16(20)12(3)21-9-13)11(2)17(23-24)10-22-15-6-5-14(19)8-15/h7,9,14-15,22H,4-6,8,10H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine?
cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine has a molecular weight of 334.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[[1-ethyl-5-(5-fluoro-6-methyl-3-pyridinyl)-4-methylpyrazol-3-yl]methyl]-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 45270907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).