tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate

C18H24N4O3 — CID 47057073

IUPACtert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)19-10-9-16(23)20-12-13-4-6-14(7-5-13)15-8-11-21-22-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyUVLWLLFSCHRCCD-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.61
Rot. Bonds6

About tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate

tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate (PubChem CID 47057073) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate
PubChem CID47057073
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Nametert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)19-10-9-16(23)20-12-13-4-6-14(7-5-13)15-8-11-21-22-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyUVLWLLFSCHRCCD-UHFFFAOYSA-N
XLogP2.61
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[3-[(4-carbamoylphenyl)methylamino]-3-oxopropyl]carbamate
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tert-butyl N-[3-[[4-(ethoxymethyl)phenyl]methylamino]-3-oxopropyl]carbamate
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tert-butyl N-[3-[[4-(hydroxycarbamoyl)phenyl]methylamino]-3-oxopropyl]carbamate
CID 122143651
N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide
CID 154774741
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl N-[3-[4-[[3-(4-methylphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920578
tert-butyl N-[3-oxo-3-[[4-(prop-2-enoylamino)phenyl]methylamino]propyl]carbamate
CID 108920722
tert-butyl N-[3-[[4-[[(E)-but-2-enoyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920724
tert-butyl N-[3-[[4-(3-methylbut-2-enoylamino)phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920726
tert-butyl N-[3-[[4-[(2-cyclopentylacetyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate (CID 47057073) is tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate?
The InChIKey is UVLWLLFSCHRCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)19-10-9-16(23)20-12-13-4-6-14(7-5-13)15-8-11-21-22-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate has a molecular weight of 344.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate is sourced from PubChem (CID 47057073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).