(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine

C9H17N3O — CID 115069152

IUPAC(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine
SMILESCOc1c(CN)cnn1C(C)(C)C
InChIInChI=1S/C9H17N3O/c1-9(2,3)12-8(13-4)7(5-10)6-11-12/h6H,5,10H2,1-4H3
InChIKeyDOUYRMKPSUBYTQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds2

About (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine

(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine (PubChem CID 115069152) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine
PubChem CID115069152
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine
SMILESCOc1c(CN)cnn1C(C)(C)C
InChIInChI=1S/C9H17N3O/c1-9(2,3)12-8(13-4)7(5-10)6-11-12/h6H,5,10H2,1-4H3
InChIKeyDOUYRMKPSUBYTQ-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine?
The IUPAC name of (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine (CID 115069152) is (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine.
What is the SMILES notation for (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine?
The canonical SMILES for (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine is COc1c(CN)cnn1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine?
The InChIKey is DOUYRMKPSUBYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)12-8(13-4)7(5-10)6-11-12/h6H,5,10H2,1-4H3.
What are the key properties of (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine?
(1-tert-butyl-5-methoxypyrazol-4-yl)methanamine has a molecular weight of 183.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-methoxypyrazol-4-yl)methanamine is sourced from PubChem (CID 115069152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).