N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine

C10H19N3 — CID 59485528

IUPACN-tert-butyl-2-ethyl-N-methylpyrazol-3-amine
SMILESCCn1nccc1N(C)C(C)(C)C
InChIInChI=1S/C10H19N3/c1-6-13-9(7-8-11-13)12(5)10(2,3)4/h7-8H,6H2,1-5H3
InChIKeySKNHEHMKUSCANP-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.14
Rot. Bonds2

About N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine

N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine (PubChem CID 59485528) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N-methylpyrazol-3-amine
PubChem CID59485528
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-tert-butyl-2-ethyl-N-methylpyrazol-3-amine
SMILESCCn1nccc1N(C)C(C)(C)C
InChIInChI=1S/C10H19N3/c1-6-13-9(7-8-11-13)12(5)10(2,3)4/h7-8H,6H2,1-5H3
InChIKeySKNHEHMKUSCANP-UHFFFAOYSA-N
XLogP2.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine?
The IUPAC name of N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine (CID 59485528) is N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine is CCn1nccc1N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine?
The InChIKey is SKNHEHMKUSCANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-13-9(7-8-11-13)12(5)10(2,3)4/h7-8H,6H2,1-5H3.
What are the key properties of N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine?
N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N-methylpyrazol-3-amine is sourced from PubChem (CID 59485528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).