tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate

C15H27N5O4 — CID 138047938

IUPACtert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate
SMILESCC(C)n1ccc(NC(=O)NCC(CO)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H27N5O4/c1-10(2)20-7-6-12(19-20)18-13(22)16-8-11(9-21)17-14(23)24-15(3,4)5/h6-7,10-11,21H,8-9H2,1-5H3,(H,17,23)(H2,16,18,19,22)
InChIKeyYRQNYVFCTQQZRH-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.47
Rot. Bonds6

About tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate

tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate (PubChem CID 138047938) has the molecular formula C15H27N5O4 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate
PubChem CID138047938
Molecular FormulaC15H27N5O4
Molecular Weight341.41 g/mol
Exact Mass341.21
IUPAC Nametert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate
SMILESCC(C)n1ccc(NC(=O)NCC(CO)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H27N5O4/c1-10(2)20-7-6-12(19-20)18-13(22)16-8-11(9-21)17-14(23)24-15(3,4)5/h6-7,10-11,21H,8-9H2,1-5H3,(H,17,23)(H2,16,18,19,22)
InChIKeyYRQNYVFCTQQZRH-UHFFFAOYSA-N
XLogP1.47
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate with MolForge

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Related Compounds

(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
CID 114251144
tert-butyl N-[1-[(2,5-difluorophenyl)carbamoylamino]-3-hydroxypropan-2-yl]carbamate
CID 138047939
(2S)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 114251131
tert-butyl N-[(2S)-3-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxycarbonylamino]propyl]carbamate
CID 169075876
tert-butyl N-[2-(hydroxymethyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butyl]carbamate
CID 106508417
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(1-methylpyrazol-3-yl)amino]-4-oxobutanoate
CID 118061279
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 130496246
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropan-2-yl]carbamate
CID 88622275
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate (CID 138047938) is tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate is CC(C)n1ccc(NC(=O)NCC(CO)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate?
The InChIKey is YRQNYVFCTQQZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O4/c1-10(2)20-7-6-12(19-20)18-13(22)16-8-11(9-21)17-14(23)24-15(3,4)5/h6-7,10-11,21H,8-9H2,1-5H3,(H,17,23)(H2,16,18,19,22).
What are the key properties of tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate is sourced from PubChem (CID 138047938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).