N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine

C10H19N3 — CID 59485529

IUPACN-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine
SMILESCCN(c1cc(C)[nH]n1)C(C)(C)C
InChIInChI=1S/C10H19N3/c1-6-13(10(3,4)5)9-7-8(2)11-12-9/h7H,6H2,1-5H3,(H,11,12)
InChIKeyAMOOMZPDQSVHGZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.34
Rot. Bonds2

About N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine

N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine (PubChem CID 59485529) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine
PubChem CID59485529
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine
SMILESCCN(c1cc(C)[nH]n1)C(C)(C)C
InChIInChI=1S/C10H19N3/c1-6-13(10(3,4)5)9-7-8(2)11-12-9/h7H,6H2,1-5H3,(H,11,12)
InChIKeyAMOOMZPDQSVHGZ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine (CID 59485529) is N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine is CCN(c1cc(C)[nH]n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine?
The InChIKey is AMOOMZPDQSVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-13(10(3,4)5)9-7-8(2)11-12-9/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine?
N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethyl-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 59485529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).