tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate

C15H26N4O2 — CID 67437839

IUPACtert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate
SMILESCn1ncc(N)c1C1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-11-7-5-6-10(8-11)13-12(16)9-17-19(13)4/h9-11H,5-8,16H2,1-4H3,(H,18,20)
InChIKeyBJNGWRREOHHLCD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate

tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate (PubChem CID 67437839) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate
PubChem CID67437839
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate
SMILESCn1ncc(N)c1C1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-11-7-5-6-10(8-11)13-12(16)9-17-19(13)4/h9-11H,5-8,16H2,1-4H3,(H,18,20)
InChIKeyBJNGWRREOHHLCD-UHFFFAOYSA-N
XLogP2.55
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate (CID 67437839) is tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate is Cn1ncc(N)c1C1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate?
The InChIKey is BJNGWRREOHHLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-11-7-5-6-10(8-11)13-12(16)9-17-19(13)4/h9-11H,5-8,16H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate?
tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-amino-1-methylpyrazol-5-yl)cyclohexyl]carbamate is sourced from PubChem (CID 67437839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).