5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine

C11H21N3 — CID 63049529

IUPAC5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)CNc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H21N3/c1-8(2)7-12-10-6-9(13-14-10)11(3,4)5/h6,8H,7H2,1-5H3,(H2,12,13,14)
InChIKeyHYAUOFZFHLNTPO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.78
Rot. Bonds3

About 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine

5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 63049529) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID63049529
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)CNc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H21N3/c1-8(2)7-12-10-6-9(13-14-10)11(3,4)5/h6,8H,7H2,1-5H3,(H2,12,13,14)
InChIKeyHYAUOFZFHLNTPO-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(propan-2-yl)-1H-pyrazol-5-amine
CID 12763781
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
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
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
5-(2,2-difluorocyclopropyl)-N-methyl-1H-pyrazol-3-amine
CID 124178784
5-(1-fluorocyclopropyl)-N-methyl-1H-pyrazol-3-amine
CID 124179496
3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]propa-1,2-dien-1-one
CID 134874060
N-(5-(tert-butyl)-1H-pyrazol-3-yl)-2-chloro-4a,7a-dihydro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135398494

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine (CID 63049529) is 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine is CC(C)CNc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is HYAUOFZFHLNTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)7-12-10-6-9(13-14-10)11(3,4)5/h6,8H,7H2,1-5H3,(H2,12,13,14).
What are the key properties of 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine?
5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63049529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).