benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate

C18H21N3O3 — CID 90370124

IUPACbenzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate
SMILESO=C(OCc1ccccc1)N(C1CC1)C1CCc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C18H21N3O3/c22-17-15-10-14(8-9-16(15)19-20-17)21(13-6-7-13)18(23)24-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H2,19,20,22)
InChIKeyCPMJSFRPRYPRGJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.36
Rot. Bonds4

About benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate

benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate (PubChem CID 90370124) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate
PubChem CID90370124
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namebenzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate
SMILESO=C(OCc1ccccc1)N(C1CC1)C1CCc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C18H21N3O3/c22-17-15-10-14(8-9-16(15)19-20-17)21(13-6-7-13)18(23)24-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H2,19,20,22)
InChIKeyCPMJSFRPRYPRGJ-UHFFFAOYSA-N
XLogP2.36
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520
benzyl N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
CID 66566638
benzyl carbamate;piperidine-2,6-dione
CID 174491425
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
CID 77144080
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate
CID 106484238
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
tert-butyl (3S)-3-[cyclopropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 121293773

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate?
The IUPAC name of benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate (CID 90370124) is benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate.
What is the SMILES notation for benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate?
The canonical SMILES for benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate is O=C(OCc1ccccc1)N(C1CC1)C1CCc2[nH][nH]c(=O)c2C1.
What is the InChIKey of benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate?
The InChIKey is CPMJSFRPRYPRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17-15-10-14(8-9-16(15)19-20-17)21(13-6-7-13)18(23)24-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H2,19,20,22).
What are the key properties of benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate?
benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate has a molecular weight of 327.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclopropyl-N-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)carbamate is sourced from PubChem (CID 90370124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).