2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine

C8H13N3 — CID 83861633

IUPAC2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine
SMILESNCCC1CCc2[nH]ncc21
InChIInChI=1S/C8H13N3/c9-4-3-6-1-2-8-7(6)5-10-11-8/h5-6H,1-4,9H2,(H,10,11)
InChIKeyMPCGOQRLYIFBAV-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.79
Rot. Bonds2

About 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine (PubChem CID 83861633) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine
PubChem CID83861633
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine
SMILESNCCC1CCc2[nH]ncc21
InChIInChI=1S/C8H13N3/c9-4-3-6-1-2-8-7(6)5-10-11-8/h5-6H,1-4,9H2,(H,10,11)
InChIKeyMPCGOQRLYIFBAV-UHFFFAOYSA-N
XLogP0.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861735
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)ethanamine
CID 83872534
2-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-4-yl)ethanamine
CID 82417410
4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole
CID 174351058
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861581
2-(3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl)ethanamine
CID 83911428
2-(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)ethanamine
CID 83907867
3-(2-aminoethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-5-amine
CID 105456837
4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71128963
2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine
CID 83873526
2-(2-chloro-5,6-dihydro-4H-cyclopenta[b]furan-4-yl)ethanamine
CID 83906976

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine (CID 83861633) is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine is NCCC1CCc2[nH]ncc21.
What is the InChIKey of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine?
The InChIKey is MPCGOQRLYIFBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-4-3-6-1-2-8-7(6)5-10-11-8/h5-6H,1-4,9H2,(H,10,11).
What are the key properties of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine?
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)ethanamine is sourced from PubChem (CID 83861633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).