5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine

C14H27N3 — CID 64778198

IUPAC5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
SMILESCCC(C)n1ccc(CC(C)(C)CC(C)N)n1
InChIInChI=1S/C14H27N3/c1-6-12(3)17-8-7-13(16-17)10-14(4,5)9-11(2)15/h7-8,11-12H,6,9-10,15H2,1-5H3
InChIKeyAWUVRVIERILCMX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds6

About 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine

5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine (PubChem CID 64778198) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
PubChem CID64778198
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
SMILESCCC(C)n1ccc(CC(C)(C)CC(C)N)n1
InChIInChI=1S/C14H27N3/c1-6-12(3)17-8-7-13(16-17)10-14(4,5)9-11(2)15/h7-8,11-12H,6,9-10,15H2,1-5H3
InChIKeyAWUVRVIERILCMX-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
CID 65020467
1-butan-2-yl-3-[2-(chloromethyl)-2,3-dimethylbutyl]pyrazole
CID 83151402
3-(4-bromo-2,2-dimethylpentyl)-1-pentan-3-ylpyrazole
CID 64778970
3-[2,2-bis(chloromethyl)-4-methylpentyl]-1-butan-2-ylpyrazole
CID 79448133
1-(1-butan-2-ylpyrazol-3-yl)-2-(2-methylphenyl)propan-2-amine
CID 64784290
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-(2-bromophenyl)-1-(1-butan-2-ylpyrazol-3-yl)propan-2-amine
CID 64783132
1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 64785649
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83159858
1-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-3-one
CID 64783810
3-[2,2-bis(chloromethyl)pentyl]-1-butan-2-ylpyrazole
CID 79446937
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016

Frequently Asked Questions

What is the IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine (CID 64778198) is 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine is CCC(C)n1ccc(CC(C)(C)CC(C)N)n1.
What is the InChIKey of 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine?
The InChIKey is AWUVRVIERILCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-12(3)17-8-7-13(16-17)10-14(4,5)9-11(2)15/h7-8,11-12H,6,9-10,15H2,1-5H3.
What are the key properties of 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine?
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 64778198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).