N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine

C11H13Cl2N5 — CID 71974562

IUPACN'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
SMILESClc1cnc(NCCNCc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C11H13Cl2N5/c12-8-5-10(13)11(16-6-8)15-4-3-14-7-9-1-2-17-18-9/h1-2,5-6,14H,3-4,7H2,(H,15,16)(H,17,18)
InChIKeyKEDDSRAQSMGSPM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.31
Rot. Bonds6

About N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine

N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 71974562) has the molecular formula C11H13Cl2N5 and a molecular weight of 286.17 g/mol. Its IUPAC name is N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID71974562
Molecular FormulaC11H13Cl2N5
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
SMILESClc1cnc(NCCNCc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C11H13Cl2N5/c12-8-5-10(13)11(16-6-8)15-4-3-14-7-9-1-2-17-18-9/h1-2,5-6,14H,3-4,7H2,(H,15,16)(H,17,18)
InChIKeyKEDDSRAQSMGSPM-UHFFFAOYSA-N
XLogP2.31
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine (CID 71974562) is N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine is Clc1cnc(NCCNCc2ccn[nH]2)c(Cl)c1.
What is the InChIKey of N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is KEDDSRAQSMGSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5/c12-8-5-10(13)11(16-6-8)15-4-3-14-7-9-1-2-17-18-9/h1-2,5-6,14H,3-4,7H2,(H,15,16)(H,17,18).
What are the key properties of N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 286.17 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 71974562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).