2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine

C12H23N3 — CID 115807994

IUPAC2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCn1cc(C(N)C(C)(C)CC)cn1
InChIInChI=1S/C12H23N3/c1-5-7-15-9-10(8-14-15)11(13)12(3,4)6-2/h8-9,11H,5-7,13H2,1-4H3
InChIKeyIVZNRPMREXSZPT-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.73
Rot. Bonds5

About 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine

2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine (PubChem CID 115807994) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
PubChem CID115807994
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCn1cc(C(N)C(C)(C)CC)cn1
InChIInChI=1S/C12H23N3/c1-5-7-15-9-10(8-14-15)11(13)12(3,4)6-2/h8-9,11H,5-7,13H2,1-4H3
InChIKeyIVZNRPMREXSZPT-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636
2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 79065855
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103681
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine (CID 115807994) is 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine is CCCn1cc(C(N)C(C)(C)CC)cn1.
What is the InChIKey of 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The InChIKey is IVZNRPMREXSZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-15-9-10(8-14-15)11(13)12(3,4)6-2/h8-9,11H,5-7,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 115807994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).