N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C21H36N6 — CID 86302013

IUPACN'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccnc(N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C21H36N6/c1-16(2)13-27(14-17(3)4)20-11-18(7-8-23-20)21-19(12-24-25-21)15-26(6)10-9-22-5/h7-8,11-12,16-17,22H,9-10,13-15H2,1-6H3,(H,24,25)
InChIKeyVFFMDYHCKKXOIR-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.24
Rot. Bonds11

About N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 86302013) has the molecular formula C21H36N6 and a molecular weight of 372.56 g/mol. Its IUPAC name is N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID86302013
Molecular FormulaC21H36N6
Molecular Weight372.56 g/mol
Exact Mass372.30
IUPAC NameN'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1ccnc(N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C21H36N6/c1-16(2)13-27(14-17(3)4)20-11-18(7-8-23-20)21-19(12-24-25-21)15-26(6)10-9-22-5/h7-8,11-12,16-17,22H,9-10,13-15H2,1-6H3,(H,24,25)
InChIKeyVFFMDYHCKKXOIR-UHFFFAOYSA-N
XLogP3.24
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 86302013) is N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1-c1ccnc(N(CC(C)C)CC(C)C)c1.
What is the InChIKey of N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is VFFMDYHCKKXOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6/c1-16(2)13-27(14-17(3)4)20-11-18(7-8-23-20)21-19(12-24-25-21)15-26(6)10-9-22-5/h7-8,11-12,16-17,22H,9-10,13-15H2,1-6H3,(H,24,25).
What are the key properties of N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 372.56 g/mol, XLogP of 3.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[2-[bis(2-methylpropyl)amino]-4-pyridinyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 86302013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).