4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine

C10H19N3 — CID 58477495

IUPAC4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine
SMILESCCN(C)c1[nH]ncc1C(C)(C)C
InChIInChI=1S/C10H19N3/c1-6-13(5)9-8(7-11-12-9)10(2,3)4/h7H,6H2,1-5H3,(H,11,12)
InChIKeyHNEWQQXEKAABLK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.16
Rot. Bonds2

About 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine

4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine (PubChem CID 58477495) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine
PubChem CID58477495
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine
SMILESCCN(C)c1[nH]ncc1C(C)(C)C
InChIInChI=1S/C10H19N3/c1-6-13(5)9-8(7-11-12-9)10(2,3)4/h7H,6H2,1-5H3,(H,11,12)
InChIKeyHNEWQQXEKAABLK-UHFFFAOYSA-N
XLogP2.16
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 67519680
5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine
CID 153408103
N,N-diethyl-4-methyl-1H-pyrazol-5-amine
CID 12552925
4-(4-tert-butyl-1H-pyrazol-5-yl)morpholine
CID 58477460
4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine
CID 58477470
4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine
CID 58477477
4-tert-butyl-5-isocyano-1H-pyrazole
CID 58477478
4-tert-butyl-N-ethyl-1H-pyrazol-5-amine
CID 58477481
1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine
CID 58477491
4-tert-butyl-N-methyl-1H-pyrazol-5-amine
CID 58477493
4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole
CID 58477498
4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine
CID 58477506

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine (CID 58477495) is 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine is CCN(C)c1[nH]ncc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine?
The InChIKey is HNEWQQXEKAABLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-13(5)9-8(7-11-12-9)10(2,3)4/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine?
4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine has a molecular weight of 181.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine is sourced from PubChem (CID 58477495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).