1-(1-pentylpyrazol-4-yl)butan-2-amine

C12H23N3 — CID 62731678

IUPAC1-(1-pentylpyrazol-4-yl)butan-2-amine
SMILESCCCCCn1cc(CC(N)CC)cn1
InChIInChI=1S/C12H23N3/c1-3-5-6-7-15-10-11(9-14-15)8-12(13)4-2/h9-10,12H,3-8,13H2,1-2H3
InChIKeyZYMPANHUTPLZCM-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.35
Rot. Bonds7

About 1-(1-pentylpyrazol-4-yl)butan-2-amine

1-(1-pentylpyrazol-4-yl)butan-2-amine (PubChem CID 62731678) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(1-pentylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-pentylpyrazol-4-yl)butan-2-amine
PubChem CID62731678
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(1-pentylpyrazol-4-yl)butan-2-amine
SMILESCCCCCn1cc(CC(N)CC)cn1
InChIInChI=1S/C12H23N3/c1-3-5-6-7-15-10-11(9-14-15)8-12(13)4-2/h9-10,12H,3-8,13H2,1-2H3
InChIKeyZYMPANHUTPLZCM-UHFFFAOYSA-N
XLogP2.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.35
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

1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
CID 113327318
1-[1-(2-ethylhexyl)pyrazol-4-yl]butan-2-amine
CID 62731697
1,4-dipentylpyrazole
CID 70562897
1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine
CID 62731862
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731684
N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059
1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
CID 62731510
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731349
4-(1-chloropropyl)-1-dodecylpyrazole
CID 63512488

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(1-pentylpyrazol-4-yl)butan-2-amine (CID 62731678) is 1-(1-pentylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(1-pentylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(1-pentylpyrazol-4-yl)butan-2-amine is CCCCCn1cc(CC(N)CC)cn1.
What is the InChIKey of 1-(1-pentylpyrazol-4-yl)butan-2-amine?
The InChIKey is ZYMPANHUTPLZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-6-7-15-10-11(9-14-15)8-12(13)4-2/h9-10,12H,3-8,13H2,1-2H3.
What are the key properties of 1-(1-pentylpyrazol-4-yl)butan-2-amine?
1-(1-pentylpyrazol-4-yl)butan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 62731678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).