benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate

C15H19N5O3 — CID 154703490

IUPACbenzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate
SMILESC[C@H](Cn1ncc(N)c1C(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19N5O3/c1-10(8-20-13(14(17)21)12(16)7-18-20)19-15(22)23-9-11-5-3-2-4-6-11/h2-7,10H,8-9,16H2,1H3,(H2,17,21)(H,19,22)/t10-/m1/s1
InChIKeyUWVMOCVSUAXXGB-SNVBAGLBSA-N
MW317.35 g/mol
LogP0.88
Rot. Bonds6

About benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate

benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate (PubChem CID 154703490) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate
PubChem CID154703490
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Namebenzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate
SMILESC[C@H](Cn1ncc(N)c1C(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19N5O3/c1-10(8-20-13(14(17)21)12(16)7-18-20)19-15(22)23-9-11-5-3-2-4-6-11/h2-7,10H,8-9,16H2,1H3,(H2,17,21)(H,19,22)/t10-/m1/s1
InChIKeyUWVMOCVSUAXXGB-SNVBAGLBSA-N
XLogP0.88
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate (CID 154703490) is benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate is C[C@H](Cn1ncc(N)c1C(N)=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate?
The InChIKey is UWVMOCVSUAXXGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10(8-20-13(14(17)21)12(16)7-18-20)19-15(22)23-9-11-5-3-2-4-6-11/h2-7,10H,8-9,16H2,1H3,(H2,17,21)(H,19,22)/t10-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate?
benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate has a molecular weight of 317.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-(4-amino-5-carbamoylpyrazol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 154703490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).