(1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide

C14H19F2N3O — CID 164642004

IUPAC(1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCC2)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C14H19F2N3O/c15-14(16)6-5-9(7-14)13(20)17-8-12-10-3-1-2-4-11(10)18-19-12/h9H,1-8H2,(H,17,20)(H,18,19)/t9-/m0/s1
InChIKeyQYWIEVKEUAIZBV-VIFPVBQESA-N
MW283.32 g/mol
LogP2.34
Rot. Bonds3

About (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide

(1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 164642004) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide
PubChem CID164642004
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name(1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCC2)[C@H]1CCC(F)(F)C1
InChIInChI=1S/C14H19F2N3O/c15-14(16)6-5-9(7-14)13(20)17-8-12-10-3-1-2-4-11(10)18-19-12/h9H,1-8H2,(H,17,20)(H,18,19)/t9-/m0/s1
InChIKeyQYWIEVKEUAIZBV-VIFPVBQESA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide (CID 164642004) is (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide is O=C(NCc1n[nH]c2c1CCCC2)[C@H]1CCC(F)(F)C1.
What is the InChIKey of (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is QYWIEVKEUAIZBV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-14(16)6-5-9(7-14)13(20)17-8-12-10-3-1-2-4-11(10)18-19-12/h9H,1-8H2,(H,17,20)(H,18,19)/t9-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide?
(1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 164642004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).