1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine

C13H25N3 — CID 65020467

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C13H25N3/c1-5-8-13(4,14)10-12-7-9-16(15-12)11(3)6-2/h7,9,11H,5-6,8,10,14H2,1-4H3
InChIKeyFEOCIUPOTPYKHJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.91
Rot. Bonds6

About 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine (PubChem CID 65020467) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
PubChem CID65020467
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)Cc1ccn(C(C)CC)n1
InChIInChI=1S/C13H25N3/c1-5-8-13(4,14)10-12-7-9-16(15-12)11(3)6-2/h7,9,11H,5-6,8,10,14H2,1-4H3
InChIKeyFEOCIUPOTPYKHJ-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,2-bis(chloromethyl)pentyl]-1-butan-2-ylpyrazole
CID 79446937
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
1-(1-butan-2-ylpyrazol-3-yl)-2-(2-methylphenyl)propan-2-amine
CID 64784290
1-butan-2-yl-3-[2-(chloromethyl)-2,3-dimethylbutyl]pyrazole
CID 83151402
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)-4-methylpentyl]-1-butan-2-ylpyrazole
CID 79448133
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
CID 64777521
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 83139603
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methyl-2-N-propylpropane-1,2-diamine
CID 64800225

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine (CID 65020467) is 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine is CCCC(C)(N)Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine?
The InChIKey is FEOCIUPOTPYKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-8-13(4,14)10-12-7-9-16(15-12)11(3)6-2/h7,9,11H,5-6,8,10,14H2,1-4H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine is sourced from PubChem (CID 65020467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).