3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol

C15H29N3O — CID 106146536

IUPAC3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol
SMILESCCC(CC)n1ccc(CNCC(C)(C)CCO)n1
InChIInChI=1S/C15H29N3O/c1-5-14(6-2)18-9-7-13(17-18)11-16-12-15(3,4)8-10-19/h7,9,14,16,19H,5-6,8,10-12H2,1-4H3
InChIKeyRRTYUOXQBONZOG-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.74
Rot. Bonds9

About 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol

3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol (PubChem CID 106146536) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol
PubChem CID106146536
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol
SMILESCCC(CC)n1ccc(CNCC(C)(C)CCO)n1
InChIInChI=1S/C15H29N3O/c1-5-14(6-2)18-9-7-13(17-18)11-16-12-15(3,4)8-10-19/h7,9,14,16,19H,5-6,8,10-12H2,1-4H3
InChIKeyRRTYUOXQBONZOG-UHFFFAOYSA-N
XLogP2.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2,2-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 114148926
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
3-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 106310130
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
2,2-dimethyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-1-amine
CID 64778102
2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 80526622
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
1-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-2-amine
CID 65024614
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 64779477
2,2,3-trimethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butanoic acid
CID 65265758
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]ethanol
CID 64783656
N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64771973

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol (CID 106146536) is 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol is CCC(CC)n1ccc(CNCC(C)(C)CCO)n1.
What is the InChIKey of 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol?
The InChIKey is RRTYUOXQBONZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-14(6-2)18-9-7-13(17-18)11-16-12-15(3,4)8-10-19/h7,9,14,16,19H,5-6,8,10-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol?
3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106146536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).