N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine

C10H19N3 — CID 62040383

IUPACN-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine
SMILESCCNC(CC)Cn1cc(C)cn1
InChIInChI=1S/C10H19N3/c1-4-10(11-5-2)8-13-7-9(3)6-12-13/h6-7,10-11H,4-5,8H2,1-3H3
InChIKeyNVOZBIXKQGPDFQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds5

About N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine

N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine (PubChem CID 62040383) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine
PubChem CID62040383
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine
SMILESCCNC(CC)Cn1cc(C)cn1
InChIInChI=1S/C10H19N3/c1-4-10(11-5-2)8-13-7-9(3)6-12-13/h6-7,10-11H,4-5,8H2,1-3H3
InChIKeyNVOZBIXKQGPDFQ-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine (CID 62040383) is N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine is CCNC(CC)Cn1cc(C)cn1.
What is the InChIKey of N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine?
The InChIKey is NVOZBIXKQGPDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-10(11-5-2)8-13-7-9(3)6-12-13/h6-7,10-11H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine?
N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine is sourced from PubChem (CID 62040383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).