N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine

C9H13N3 — CID 63048851

IUPACN-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
SMILESC1Cc2[nH]nc(NC3CC3)c2C1
InChIInChI=1S/C9H13N3/c1-2-7-8(3-1)11-12-9(7)10-6-4-5-6/h6H,1-5H2,(H2,10,11,12)
InChIKeyLQISJHKYYFZGAG-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds2

About N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine

N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine (PubChem CID 63048851) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
PubChem CID63048851
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
SMILESC1Cc2[nH]nc(NC3CC3)c2C1
InChIInChI=1S/C9H13N3/c1-2-7-8(3-1)11-12-9(7)10-6-4-5-6/h6H,1-5H2,(H2,10,11,12)
InChIKeyLQISJHKYYFZGAG-UHFFFAOYSA-N
XLogP1.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine?
The IUPAC name of N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine (CID 63048851) is N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine.
What is the SMILES notation for N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine?
The canonical SMILES for N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine is C1Cc2[nH]nc(NC3CC3)c2C1.
What is the InChIKey of N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine?
The InChIKey is LQISJHKYYFZGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7-8(3-1)11-12-9(7)10-6-4-5-6/h6H,1-5H2,(H2,10,11,12).
What are the key properties of N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine?
N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine is sourced from PubChem (CID 63048851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).