N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine

C12H23N3 — CID 63106195

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCCn1nc(C)c(CCNC(C)C)c1C
InChIInChI=1S/C12H23N3/c1-6-15-11(5)12(10(4)14-15)7-8-13-9(2)3/h9,13H,6-8H2,1-5H3
InChIKeyYMIQKGSKPMBXTP-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine (PubChem CID 63106195) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
PubChem CID63106195
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCCn1nc(C)c(CCNC(C)C)c1C
InChIInChI=1S/C12H23N3/c1-6-15-11(5)12(10(4)14-15)7-8-13-9(2)3/h9,13H,6-8H2,1-5H3
InChIKeyYMIQKGSKPMBXTP-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine
CID 104868295
N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine
CID 79225643
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 63106366
4-(2-bromoethyl)-1-ethyl-3,5-dimethylpyrazole
CID 103027318
N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 79562921
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 71755396
N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79412386
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 22578603

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine (CID 63106195) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine is CCn1nc(C)c(CCNC(C)C)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine?
The InChIKey is YMIQKGSKPMBXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-15-11(5)12(10(4)14-15)7-8-13-9(2)3/h9,13H,6-8H2,1-5H3.
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 63106195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).