4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine

C11H21N3 — CID 58477506

IUPAC4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine
SMILESCCN(CC)c1[nH]ncc1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-6-14(7-2)10-9(8-12-13-10)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyRSOFZTSWYLDHAB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.55
Rot. Bonds3

About 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine

4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine (PubChem CID 58477506) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine
PubChem CID58477506
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine
SMILESCCN(CC)c1[nH]ncc1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-6-14(7-2)10-9(8-12-13-10)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyRSOFZTSWYLDHAB-UHFFFAOYSA-N
XLogP2.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine?
The IUPAC name of 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine (CID 58477506) is 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine is CCN(CC)c1[nH]ncc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine?
The InChIKey is RSOFZTSWYLDHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-14(7-2)10-9(8-12-13-10)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine?
4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine has a molecular weight of 195.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine is sourced from PubChem (CID 58477506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).