methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate

C19H32N4O3 — CID 118313497

IUPACmethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)c(C)c1C1CCOCC1
InChIInChI=1S/C19H32N4O3/c1-13-17(14(2)21-16-5-6-16)22-23(10-4-9-20-19(24)25-3)18(13)15-7-11-26-12-8-15/h14-16,21H,4-12H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyYFBKYNNIQVRUTE-CQSZACIVSA-N
MW364.49 g/mol
LogP2.64
Rot. Bonds8

About methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate (PubChem CID 118313497) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
PubChem CID118313497
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)c(C)c1C1CCOCC1
InChIInChI=1S/C19H32N4O3/c1-13-17(14(2)21-16-5-6-16)22-23(10-4-9-20-19(24)25-3)18(13)15-7-11-26-12-8-15/h14-16,21H,4-12H2,1-3H3,(H,20,24)/t14-/m1/s1
InChIKeyYFBKYNNIQVRUTE-CQSZACIVSA-N
XLogP2.64
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate with MolForge

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Related Compounds

US11028083, Example 60
CID 139451511
[(2R)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate
CID 164637118
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
CID 118313498
tert-butyl N-[2-[[4-[4,4-bis(ethoxymethyl)cyclohexyl]-1,5-bis(2-fluoroethyl)pyrazol-3-yl]methylamino]ethyl]-N-methylcarbamate
CID 163765369
Tert-butyl (1r)-2-[3,5-dimethyl-4-(4-piperidinylmethyl)-1h-pyrazol-1-yl]-1-methylethylcarbamate
CID 60011570
tert-butyl N-[1-[3,5-dimethyl-4-(piperidin-4-ylmethyl)pyrazol-1-yl]propan-2-yl]carbamate
CID 72621445
methyl N-[3-[3-[(1S)-1-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
CID 118313259
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4,5,6,7-tetrahydroindazol-1-yl]propyl]carbamate
CID 118313473
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propyl]carbamate
CID 118313474
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
CID 118313496
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
CID 118313882
3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 139451424

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate (CID 118313497) is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc([C@@H](C)NC2CC2)c(C)c1C1CCOCC1.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?
The InChIKey is YFBKYNNIQVRUTE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-13-17(14(2)21-16-5-6-16)22-23(10-4-9-20-19(24)25-3)18(13)15-7-11-26-12-8-15/h14-16,21H,4-12H2,1-3H3,(H,20,24)/t14-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate has a molecular weight of 364.49 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).