tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate

C14H22N4O3 — CID 156745627

IUPACtert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate
SMILESCc1n[nH]c(C)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22N4O3/c1-8-11(9(2)17-16-8)12(19)15-10-6-18(7-10)13(20)21-14(3,4)5/h10H,6-7H2,1-5H3,(H,15,19)(H,16,17)
InChIKeyDYHDCFHVKCIPQD-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.38
Rot. Bonds2

About tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate (PubChem CID 156745627) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate
PubChem CID156745627
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate
SMILESCc1n[nH]c(C)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22N4O3/c1-8-11(9(2)17-16-8)12(19)15-10-6-18(7-10)13(20)21-14(3,4)5/h10H,6-7H2,1-5H3,(H,15,19)(H,16,17)
InChIKeyDYHDCFHVKCIPQD-UHFFFAOYSA-N
XLogP1.38
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate (CID 156745627) is tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate is Cc1n[nH]c(C)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate?
The InChIKey is DYHDCFHVKCIPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-8-11(9(2)17-16-8)12(19)15-10-6-18(7-10)13(20)21-14(3,4)5/h10H,6-7H2,1-5H3,(H,15,19)(H,16,17).
What are the key properties of tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 156745627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).