cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine

C19H26F2N4 — CID 45273531

IUPACcis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine
SMILESCc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F
InChIInChI=1S/C19H26F2N4/c1-11(2)25-19(14-7-17(21)13(4)22-9-14)12(3)18(24-25)10-23-16-6-5-15(20)8-16/h7,9,11,15-16,23H,5-6,8,10H2,1-4H3/t15-,16+/m1/s1
InChIKeyABRIKSFMLSHUJV-CVEARBPZSA-N
MW348.44 g/mol
LogP4.26
Rot. Bonds5

About cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine

cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine (PubChem CID 45273531) has the molecular formula C19H26F2N4 and a molecular weight of 348.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine
PubChem CID45273531
Molecular FormulaC19H26F2N4
Molecular Weight348.44 g/mol
Exact Mass348.21
IUPAC Namecis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine
SMILESCc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F
InChIInChI=1S/C19H26F2N4/c1-11(2)25-19(14-7-17(21)13(4)22-9-14)12(3)18(24-25)10-23-16-6-5-15(20)8-16/h7,9,11,15-16,23H,5-6,8,10H2,1-4H3/t15-,16+/m1/s1
InChIKeyABRIKSFMLSHUJV-CVEARBPZSA-N
XLogP4.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine (CID 45273531) is cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine is Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F.
What is the InChIKey of cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine?
The InChIKey is ABRIKSFMLSHUJV-CVEARBPZSA-N. The full InChI is InChI=1S/C19H26F2N4/c1-11(2)25-19(14-7-17(21)13(4)22-9-14)12(3)18(24-25)10-23-16-6-5-15(20)8-16/h7,9,11,15-16,23H,5-6,8,10H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine?
cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine has a molecular weight of 348.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-fluoro-N-[[5-(5-fluoro-6-methyl-3-pyridinyl)-4-methyl-1-propan-2-ylpyrazol-3-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 45273531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).