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

C9H17N3 — CID 58477481

IUPAC4-tert-butyl-N-ethyl-1H-pyrazol-5-amine
SMILESCCNc1[nH]ncc1C(C)(C)C
InChIInChI=1S/C9H17N3/c1-5-10-8-7(6-11-12-8)9(2,3)4/h6H,5H2,1-4H3,(H2,10,11,12)
InChIKeyKPRRUJOMLKYJFZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.14
Rot. Bonds2

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

4-tert-butyl-N-ethyl-1H-pyrazol-5-amine (PubChem CID 58477481) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-1H-pyrazol-5-amine
PubChem CID58477481
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-tert-butyl-N-ethyl-1H-pyrazol-5-amine
SMILESCCNc1[nH]ncc1C(C)(C)C
InChIInChI=1S/C9H17N3/c1-5-10-8-7(6-11-12-8)9(2,3)4/h6H,5H2,1-4H3,(H2,10,11,12)
InChIKeyKPRRUJOMLKYJFZ-UHFFFAOYSA-N
XLogP2.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine
CID 166703183
5-(2-fluorobutylamino)-1H-pyrazole-4-carbonitrile
CID 133622038
N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 162605498
N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine
CID 20774380
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
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-N-ethyl-N-methyl-1H-pyrazol-5-amine
CID 58477495
4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole
CID 58477498
4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine
CID 58477506
4-tert-butyl-2-methyl-1H-pyrazol-2-ium-3-amine
CID 59647692

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine (CID 58477481) is 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine is CCNc1[nH]ncc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine?
The InChIKey is KPRRUJOMLKYJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-10-8-7(6-11-12-8)9(2,3)4/h6H,5H2,1-4H3,(H2,10,11,12).
What are the key properties of 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine?
4-tert-butyl-N-ethyl-1H-pyrazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-1H-pyrazol-5-amine is sourced from PubChem (CID 58477481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).