2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine

C12H23N3 — CID 81009886

IUPAC2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
SMILESCC(CN)C(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3/c1-9(2)15-6-5-12(14-15)7-10(3)11(4)8-13/h5-6,9-11H,7-8,13H2,1-4H3
InChIKeyCUQQTVPSFLYCTE-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.24
Rot. Bonds5

About 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine

2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine (PubChem CID 81009886) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
PubChem CID81009886
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
SMILESCC(CN)C(C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3/c1-9(2)15-6-5-12(14-15)7-10(3)11(4)8-13/h5-6,9-11H,7-8,13H2,1-4H3
InChIKeyCUQQTVPSFLYCTE-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 115741469
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773195
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441071
2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773193

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine (CID 81009886) is 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine is CC(CN)C(C)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine?
The InChIKey is CUQQTVPSFLYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)15-6-5-12(14-15)7-10(3)11(4)8-13/h5-6,9-11H,7-8,13H2,1-4H3.
What are the key properties of 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine?
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 81009886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).