5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide

C22H27N5O3 — CID 142418097

IUPAC5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@H](C)c2cccc3[nH]ccc23)n1
InChIInChI=1S/C22H27N5O3/c1-13(16-4-3-5-18-17(16)10-11-24-18)27-20(12-19(26-27)21(29)23-2)22(30)25-14-6-8-15(28)9-7-14/h3-5,10-15,24,28H,6-9H2,1-2H3,(H,23,29)(H,25,30)/t13-,14?,15?/m1/s1
InChIKeyAQUNMQLHIJDMSG-WLYUNCDWSA-N
MW409.49 g/mol
LogP2.37
Rot. Bonds5

About 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide

5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide (PubChem CID 142418097) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide
PubChem CID142418097
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@H](C)c2cccc3[nH]ccc23)n1
InChIInChI=1S/C22H27N5O3/c1-13(16-4-3-5-18-17(16)10-11-24-18)27-20(12-19(26-27)21(29)23-2)22(30)25-14-6-8-15(28)9-7-14/h3-5,10-15,24,28H,6-9H2,1-2H3,(H,23,29)(H,25,30)/t13-,14?,15?/m1/s1
InChIKeyAQUNMQLHIJDMSG-WLYUNCDWSA-N
XLogP2.37
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide with MolForge

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Related Compounds

5-N-(4-hydroxycyclohexyl)-3-N-methyl-1-[(1S)-1-(3-methylphenyl)ethyl]pyrazole-3,5-dicarboxamide
CID 147447652
5-N-(4-hydroxy-4-methylcyclohexyl)-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 147349873
tert-butyl 6-[[1-(1H-indol-4-ylmethyl)-3-(methylcarbamoyl)pyrazole-5-carbonyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 153407037
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
5-N-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 147499857
methyl 1-[(1S)-1-(2-fluorophenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylate
CID 146992793
5-N-(cyclopropylmethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418016
5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142417926
2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 175774650
5-(cyclopentylcarbamoyl)-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218445
methoxycyclopentane;3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 142418233
5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142418136

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide (CID 142418097) is 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC(O)CC2)n([C@H](C)c2cccc3[nH]ccc23)n1.
What is the InChIKey of 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide?
The InChIKey is AQUNMQLHIJDMSG-WLYUNCDWSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-13(16-4-3-5-18-17(16)10-11-24-18)27-20(12-19(26-27)21(29)23-2)22(30)25-14-6-8-15(28)9-7-14/h3-5,10-15,24,28H,6-9H2,1-2H3,(H,23,29)(H,25,30)/t13-,14?,15?/m1/s1.
What are the key properties of 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide?
5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-hydroxycyclohexyl)-1-[(1R)-1-(1H-indol-4-yl)ethyl]-3-N-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 142418097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).