3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine

C14H27N3 — CID 64779069

IUPAC3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C14H27N3/c1-5-8-15-11-12(3)10-14-7-9-17(16-14)13(4)6-2/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3
InChIKeyQCJIJLFVXLTBOA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.03
Rot. Bonds8

About 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine

3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 64779069) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID64779069
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C14H27N3/c1-5-8-15-11-12(3)10-14-7-9-17(16-14)13(4)6-2/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3
InChIKeyQCJIJLFVXLTBOA-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 83139603
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 79590829
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139112

Frequently Asked Questions

What is the IUPAC name of 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine (CID 64779069) is 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1ccn(C(C)CC)n1.
What is the InChIKey of 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is QCJIJLFVXLTBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-15-11-12(3)10-14-7-9-17(16-14)13(4)6-2/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3.
What are the key properties of 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine?
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 64779069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).