N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C23H23N5O3 — CID 71780988

IUPACN-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H23N5O3/c1-28-14-19(23(27-28)31-2)22(30)26-17-9-7-15(8-10-17)21(29)24-12-11-16-13-25-20-6-4-3-5-18(16)20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,29)(H,26,30)
InChIKeySZVJRZZPRWJWAQ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.13
Rot. Bonds7

About N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 71780988) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID71780988
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H23N5O3/c1-28-14-19(23(27-28)31-2)22(30)26-17-9-7-15(8-10-17)21(29)24-12-11-16-13-25-20-6-4-3-5-18(16)20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,29)(H,26,30)
InChIKeySZVJRZZPRWJWAQ-UHFFFAOYSA-N
XLogP3.13
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 71780988) is N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is SZVJRZZPRWJWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-28-14-19(23(27-28)31-2)22(30)26-17-9-7-15(8-10-17)21(29)24-12-11-16-13-25-20-6-4-3-5-18(16)20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,29)(H,26,30).
What are the key properties of N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71780988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).