[1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid

C23H23N5O3 — CID 170336742

IUPAC[1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NC(=O)C(C)NC(=O)O)c4c3)cn2)cc1
InChIInChI=1S/C23H23N5O3/c1-3-15-4-7-18(8-5-15)28-13-17(11-25-28)16-6-9-20-19(10-16)21(12-24-20)27-22(29)14(2)26-23(30)31/h4-14,24,26H,3H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyUNXJMTSJLQZIDO-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.18
Rot. Bonds6

About [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid

[1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 170336742) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID170336742
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name[1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCCc1ccc(-n2cc(-c3ccc4[nH]cc(NC(=O)C(C)NC(=O)O)c4c3)cn2)cc1
InChIInChI=1S/C23H23N5O3/c1-3-15-4-7-18(8-5-15)28-13-17(11-25-28)16-6-9-20-19(10-16)21(12-24-20)27-22(29)14(2)26-23(30)31/h4-14,24,26H,3H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyUNXJMTSJLQZIDO-UHFFFAOYSA-N
XLogP4.18
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-3-(2,3,3-trifluoropropyl)urea
CID 175601091
N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]cyclopropanesulfonamide
CID 162705212
3,3,3-trifluoro-2-(hydroxymethyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide
CID 166951453
tert-butyl N-(5-bromo-1H-indol-3-yl)carbamate;[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl] carbamate
CID 175479309
N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 162705214
N-methyl-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573407
N-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 162705210
N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]-2H-triazole-4-carboxamide
CID 166951469
1-[5-[1-(3-cyanophenyl)pyrazol-4-yl]-1H-indol-3-yl]-3-methylurea
CID 164574018
N-(3-methoxycyclobutyl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573382
1-methyl-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]azetidine-2-carboxamide
CID 166951799
4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide
CID 170336737

Frequently Asked Questions

What is the IUPAC name of [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid (CID 170336742) is [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid is CCc1ccc(-n2cc(-c3ccc4[nH]cc(NC(=O)C(C)NC(=O)O)c4c3)cn2)cc1.
What is the InChIKey of [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is UNXJMTSJLQZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-3-15-4-7-18(8-5-15)28-13-17(11-25-28)16-6-9-20-19(10-16)21(12-24-20)27-22(29)14(2)26-23(30)31/h4-14,24,26H,3H2,1-2H3,(H,27,29)(H,30,31).
What are the key properties of [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid?
[1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 417.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 170336742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).