benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate

C18H23N3O2 — CID 67475571

IUPACbenzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate
SMILESCCCn1ncc2c1CCC[C@H]2NC(=O)OCc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-2-11-21-17-10-6-9-16(15(17)12-19-21)20-18(22)23-13-14-7-4-3-5-8-14/h3-5,7-8,12,16H,2,6,9-11,13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyAYZSRNAHAXRDQI-MRXNPFEDSA-N
MW313.40 g/mol
LogP3.60
Rot. Bonds5

About benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate

benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate (PubChem CID 67475571) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate
PubChem CID67475571
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Namebenzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate
SMILESCCCn1ncc2c1CCC[C@H]2NC(=O)OCc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-2-11-21-17-10-6-9-16(15(17)12-19-21)20-18(22)23-13-14-7-4-3-5-8-14/h3-5,7-8,12,16H,2,6,9-11,13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyAYZSRNAHAXRDQI-MRXNPFEDSA-N
XLogP3.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
benzyl N-(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]azepin-5-yl)carbamate
CID 122401327
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
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1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate?
The IUPAC name of benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate (CID 67475571) is benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate?
The canonical SMILES for benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate is CCCn1ncc2c1CCC[C@H]2NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate?
The InChIKey is AYZSRNAHAXRDQI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-11-21-17-10-6-9-16(15(17)12-19-21)20-18(22)23-13-14-7-4-3-5-8-14/h3-5,7-8,12,16H,2,6,9-11,13H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate?
benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4R)-1-propyl-4,5,6,7-tetrahydroindazol-4-yl]carbamate is sourced from PubChem (CID 67475571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).