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

C18H25FN4O — CID 68685173

IUPACcis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine
SMILESCOCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(C)nc1
InChIInChI=1S/C18H25FN4O/c1-12-4-5-13(9-20-12)18-16(11-24-3)17(22-23(18)2)10-21-15-7-6-14(19)8-15/h4-5,9,14-15,21H,6-8,10-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyKHGGTCQONVTBGD-CABCVRRESA-N
MW332.42 g/mol
LogP2.92
Rot. Bonds6

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

cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine (PubChem CID 68685173) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine
PubChem CID68685173
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Namecis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine
SMILESCOCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(C)nc1
InChIInChI=1S/C18H25FN4O/c1-12-4-5-13(9-20-12)18-16(11-24-3)17(22-23(18)2)10-21-15-7-6-14(19)8-15/h4-5,9,14-15,21H,6-8,10-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyKHGGTCQONVTBGD-CABCVRRESA-N
XLogP2.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine (CID 68685173) is cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine is COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(C)nc1.
What is the InChIKey of cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine?
The InChIKey is KHGGTCQONVTBGD-CABCVRRESA-N. The full InChI is InChI=1S/C18H25FN4O/c1-12-4-5-13(9-20-12)18-16(11-24-3)17(22-23(18)2)10-21-15-7-6-14(19)8-15/h4-5,9,14-15,21H,6-8,10-11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine?
cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine has a molecular weight of 332.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-fluoro-N-[[4-(methoxymethyl)-1-methyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 68685173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).