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

C9H17N3 — CID 58477470

IUPAC4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine
SMILESCN(C)c1[nH]ncc1C(C)(C)C
InChIInChI=1S/C9H17N3/c1-9(2,3)7-6-10-11-8(7)12(4)5/h6H,1-5H3,(H,10,11)
InChIKeyRHUWCKHVBWKARF-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.77
Rot. Bonds1

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

4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine (PubChem CID 58477470) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine
PubChem CID58477470
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine
SMILESCN(C)c1[nH]ncc1C(C)(C)C
InChIInChI=1S/C9H17N3/c1-9(2,3)7-6-10-11-8(7)12(4)5/h6H,1-5H3,(H,10,11)
InChIKeyRHUWCKHVBWKARF-UHFFFAOYSA-N
XLogP1.77
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.77
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-dimethyl-1H-pyrazol-5-amine?
The IUPAC name of 4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine (CID 58477470) is 4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine is CN(C)c1[nH]ncc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine?
The InChIKey is RHUWCKHVBWKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,3)7-6-10-11-8(7)12(4)5/h6H,1-5H3,(H,10,11).
What are the key properties of 4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine?
4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 1.77, 1 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-dimethyl-1H-pyrazol-5-amine is sourced from PubChem (CID 58477470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).