tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate

C14H23N5O3 — CID 59347702

IUPACtert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)19-6-4-9(5-7-19)17-12(20)11-10(15)8-16-18-11/h8-9H,4-7,15H2,1-3H3,(H,16,18)(H,17,20)
InChIKeySZYLRMFIDGDHTM-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.12
Rot. Bonds2

About tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 59347702) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID59347702
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Nametert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)19-6-4-9(5-7-19)17-12(20)11-10(15)8-16-18-11/h8-9H,4-7,15H2,1-3H3,(H,16,18)(H,17,20)
InChIKeySZYLRMFIDGDHTM-UHFFFAOYSA-N
XLogP1.12
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate (CID 59347702) is tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is SZYLRMFIDGDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)19-6-4-9(5-7-19)17-12(20)11-10(15)8-16-18-11/h8-9H,4-7,15H2,1-3H3,(H,16,18)(H,17,20).
What are the key properties of tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-amino-1H-pyrazole-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 59347702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).