1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine

C13H25N3 — CID 105481328

IUPAC1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine
SMILESCCCc1cc(CC(C)N)nn1C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-7-12-9-11(8-10(2)14)15-16(12)13(3,4)5/h9-10H,6-8,14H2,1-5H3
InChIKeyBUJISHDXICWLOG-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.48
Rot. Bonds4

About 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine

1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine (PubChem CID 105481328) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine
PubChem CID105481328
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine
SMILESCCCc1cc(CC(C)N)nn1C(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-7-12-9-11(8-10(2)14)15-16(12)13(3,4)5/h9-10H,6-8,14H2,1-5H3
InChIKeyBUJISHDXICWLOG-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-tert-butyl-5-(2-methylpropyl)pyrazol-3-yl]ethanamine
CID 105481323
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
1-tert-butyl-3-propylpyrazole-5-sulfonamide
CID 62408137
1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine
CID 105449463
1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
CID 105461054
1-(5-cyclopropyl-1-methylpyrazol-3-yl)propan-2-amine
CID 105438342
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole
CID 176949345
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
CID 105481359

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine (CID 105481328) is 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine is CCCc1cc(CC(C)N)nn1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine?
The InChIKey is BUJISHDXICWLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-12-9-11(8-10(2)14)15-16(12)13(3,4)5/h9-10H,6-8,14H2,1-5H3.
What are the key properties of 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine?
1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 105481328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).