N,N-dibutyl-5-methyl-1H-pyrazol-3-amine

C12H23N3 — CID 71062304

IUPACN,N-dibutyl-5-methyl-1H-pyrazol-3-amine
SMILESCCCCN(CCCC)c1cc(C)[nH]n1
InChIInChI=1S/C12H23N3/c1-4-6-8-15(9-7-5-2)12-10-11(3)13-14-12/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyVUGGBDAMAPZILD-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.12
Rot. Bonds7

About N,N-dibutyl-5-methyl-1H-pyrazol-3-amine

N,N-dibutyl-5-methyl-1H-pyrazol-3-amine (PubChem CID 71062304) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N,N-dibutyl-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,N-dibutyl-5-methyl-1H-pyrazol-3-amine
PubChem CID71062304
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN,N-dibutyl-5-methyl-1H-pyrazol-3-amine
SMILESCCCCN(CCCC)c1cc(C)[nH]n1
InChIInChI=1S/C12H23N3/c1-4-6-8-15(9-7-5-2)12-10-11(3)13-14-12/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyVUGGBDAMAPZILD-UHFFFAOYSA-N
XLogP3.12
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of N,N-dibutyl-5-methyl-1H-pyrazol-3-amine (CID 71062304) is N,N-dibutyl-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N,N-dibutyl-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N,N-dibutyl-5-methyl-1H-pyrazol-3-amine is CCCCN(CCCC)c1cc(C)[nH]n1.
What is the InChIKey of N,N-dibutyl-5-methyl-1H-pyrazol-3-amine?
The InChIKey is VUGGBDAMAPZILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-8-15(9-7-5-2)12-10-11(3)13-14-12/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N,N-dibutyl-5-methyl-1H-pyrazol-3-amine?
N,N-dibutyl-5-methyl-1H-pyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 71062304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).