2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine

C13H25N3 — CID 64778474

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
SMILESCCC(C)n1ccc(CC(CN)C(C)C)n1
InChIInChI=1S/C13H25N3/c1-5-11(4)16-7-6-13(15-16)8-12(9-14)10(2)3/h6-7,10-12H,5,8-9,14H2,1-4H3
InChIKeyTXNSPOHBNCNNCN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.63
Rot. Bonds6

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine (PubChem CID 64778474) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
PubChem CID64778474
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
SMILESCCC(C)n1ccc(CC(CN)C(C)C)n1
InChIInChI=1S/C13H25N3/c1-5-11(4)16-7-6-13(15-16)8-12(9-14)10(2)3/h6-7,10-12H,5,8-9,14H2,1-4H3
InChIKeyTXNSPOHBNCNNCN-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139654
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-3-one
CID 64784588
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 64801185
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine (CID 64778474) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine is CCC(C)n1ccc(CC(CN)C(C)C)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is TXNSPOHBNCNNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-11(4)16-7-6-13(15-16)8-12(9-14)10(2)3/h6-7,10-12H,5,8-9,14H2,1-4H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 64778474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).