(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine

C10H18N4 — CID 104867885

IUPAC(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C10H18N4/c1-7(5-11)12-6-10-8-3-2-4-9(8)13-14-10/h7,12H,2-6,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyKEMLEAWNWLDGBV-ZETCQYMHSA-N
MW194.28 g/mol
LogP0.34
Rot. Bonds4

About (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine

(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine (PubChem CID 104867885) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine
PubChem CID104867885
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C10H18N4/c1-7(5-11)12-6-10-8-3-2-4-9(8)13-14-10/h7,12H,2-6,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyKEMLEAWNWLDGBV-ZETCQYMHSA-N
XLogP0.34
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine (CID 104867885) is (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine is C[C@@H](CN)NCc1n[nH]c2c1CCC2.
What is the InChIKey of (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine?
The InChIKey is KEMLEAWNWLDGBV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(5-11)12-6-10-8-3-2-4-9(8)13-14-10/h7,12H,2-6,11H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine?
(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104867885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).