(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C14H19F2N3O — CID 110096463

IUPAC(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C14H19F2N3O/c15-14(16)5-1-10(2-6-14)13(20)19-8-4-11(9-19)12-3-7-17-18-12/h3,7,10-11H,1-2,4-6,8-9H2,(H,17,18)
InChIKeyLNMBYXSAKKVGKY-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.55
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 110096463) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID110096463
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C14H19F2N3O/c15-14(16)5-1-10(2-6-14)13(20)19-8-4-11(9-19)12-3-7-17-18-12/h3,7,10-11H,1-2,4-6,8-9H2,(H,17,18)
InChIKeyLNMBYXSAKKVGKY-UHFFFAOYSA-N
XLogP2.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 110096463) is (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCC(c2ccn[nH]2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LNMBYXSAKKVGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-14(16)5-1-10(2-6-14)13(20)19-8-4-11(9-19)12-3-7-17-18-12/h3,7,10-11H,1-2,4-6,8-9H2,(H,17,18).
What are the key properties of (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 283.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110096463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).