(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine

C12H24N4 — CID 104868295

IUPAC(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine
SMILESCCn1nc(C)c(CCN[C@H](C)CN)c1C
InChIInChI=1S/C12H24N4/c1-5-16-11(4)12(10(3)15-16)6-7-14-9(2)8-13/h9,14H,5-8,13H2,1-4H3/t9-/m1/s1
InChIKeyKGKUKYJOGQWMIR-SECBINFHSA-N
MW224.35 g/mol
LogP1.00
Rot. Bonds6

About (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine

(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine (PubChem CID 104868295) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine
PubChem CID104868295
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine
SMILESCCn1nc(C)c(CCN[C@H](C)CN)c1C
InChIInChI=1S/C12H24N4/c1-5-16-11(4)12(10(3)15-16)6-7-14-9(2)8-13/h9,14H,5-8,13H2,1-4H3/t9-/m1/s1
InChIKeyKGKUKYJOGQWMIR-SECBINFHSA-N
XLogP1.00
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 63106195
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 71755396
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
4-(2-bromoethyl)-1-ethyl-3,5-dimethylpyrazole
CID 103027318
(2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
CID 104868147
N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine
CID 79225643
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 63106366
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621007
N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 22578603
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine (CID 104868295) is (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine is CCn1nc(C)c(CCN[C@H](C)CN)c1C.
What is the InChIKey of (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine?
The InChIKey is KGKUKYJOGQWMIR-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-16-11(4)12(10(3)15-16)6-7-14-9(2)8-13/h9,14H,5-8,13H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine?
(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 104868295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).