2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine

C13H20FN3 — CID 126857834

IUPAC2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine
SMILESFC1CCCC1NCc1n[nH]c2c1CCCC2
InChIInChI=1S/C13H20FN3/c14-10-5-3-7-12(10)15-8-13-9-4-1-2-6-11(9)16-17-13/h10,12,15H,1-8H2,(H,16,17)
InChIKeyBBOFDAIDALICCM-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.27
Rot. Bonds3

About 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine

2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine (PubChem CID 126857834) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine
PubChem CID126857834
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine
SMILESFC1CCCC1NCc1n[nH]c2c1CCCC2
InChIInChI=1S/C13H20FN3/c14-10-5-3-7-12(10)15-8-13-9-4-1-2-6-11(9)16-17-13/h10,12,15H,1-8H2,(H,16,17)
InChIKeyBBOFDAIDALICCM-UHFFFAOYSA-N
XLogP2.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
CID 62113034
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 131922629
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
cis-(1S,2R)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)cyclopentan-1-amine
CID 130992265
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)methanamine
CID 46988247
3-(2,2-dimethylpropyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole
CID 59453579
methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azanium
CID 7236612
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine
CID 104867885
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide
CID 121494629
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
CID 138036020

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine (CID 126857834) is 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine is FC1CCCC1NCc1n[nH]c2c1CCCC2.
What is the InChIKey of 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is BBOFDAIDALICCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c14-10-5-3-7-12(10)15-8-13-9-4-1-2-6-11(9)16-17-13/h10,12,15H,1-8H2,(H,16,17).
What are the key properties of 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine?
2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 126857834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).