5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane

C12H23N3 — CID 145364890

IUPAC5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane
SMILESC=C(C)Nc1cc(C(C)(C)C)[nH]n1.CC
InChIInChI=1S/C10H17N3.C2H6/c1-7(2)11-9-6-8(12-13-9)10(3,4)5;1-2/h6H,1H2,2-5H3,(H2,11,12,13);1-2H3
InChIKeyKAOMKEWJUFDHND-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.68
Rot. Bonds2

About 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane

5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane (PubChem CID 145364890) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane.

Molecular Properties

Compound Name5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane
PubChem CID145364890
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane
SMILESC=C(C)Nc1cc(C(C)(C)C)[nH]n1.CC
InChIInChI=1S/C10H17N3.C2H6/c1-7(2)11-9-6-8(12-13-9)10(3,4)5;1-2/h6H,1H2,2-5H3,(H2,11,12,13);1-2H3
InChIKeyKAOMKEWJUFDHND-UHFFFAOYSA-N
XLogP3.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 5330972
3-Amino-5-tert-butylpyrazole
CID 522787
1,3-Di-tert-butyl-1H-pyrazol-5-amine
CID 43381453
5-tert-butyl-N-methyl-1H-pyrazol-3-amine
CID 13491754
5-cyclopropyl-N-methyl-1H-pyrazol-3-amine
CID 54595033
3-(1,1-Dimethylethyl)-1-ethyl-1H-pyrazol-5-amine
CID 61265722
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methoxypropanamide
CID 72126640
N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 2819087
5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine
CID 33787841
1-[3-(1-methylcyclopropyl)-1H-pyrazol-5-yl]piperazine
CID 75356561
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 47404991
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
CID 75514181

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane?
The IUPAC name of 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane (CID 145364890) is 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane.
What is the SMILES notation for 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane?
The canonical SMILES for 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane is C=C(C)Nc1cc(C(C)(C)C)[nH]n1.CC.
What is the InChIKey of 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane?
The InChIKey is KAOMKEWJUFDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-7(2)11-9-6-8(12-13-9)10(3,4)5;1-2/h6H,1H2,2-5H3,(H2,11,12,13);1-2H3.
What are the key properties of 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane?
5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane has a molecular weight of 209.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-prop-1-en-2-yl-1H-pyrazol-3-amine;ethane is sourced from PubChem (CID 145364890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).