5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide

C24H23N5O2 — CID 51998612

IUPAC5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H23N5O2/c30-23(16-10-11-16)27-22-14-21(28-29(22)18-6-2-1-3-7-18)24(31)25-13-12-17-15-26-20-9-5-4-8-19(17)20/h1-9,14-16,26H,10-13H2,(H,25,31)(H,27,30)
InChIKeyRHKXHVMSXOVSMI-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.67
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide

5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 51998612) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide
PubChem CID51998612
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C24H23N5O2/c30-23(16-10-11-16)27-22-14-21(28-29(22)18-6-2-1-3-7-18)24(31)25-13-12-17-15-26-20-9-5-4-8-19(17)20/h1-9,14-16,26H,10-13H2,(H,25,31)(H,27,30)
InChIKeyRHKXHVMSXOVSMI-UHFFFAOYSA-N
XLogP3.67
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
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3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide (CID 51998612) is 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc(NC(=O)C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is RHKXHVMSXOVSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-23(16-10-11-16)27-22-14-21(28-29(22)18-6-2-1-3-7-18)24(31)25-13-12-17-15-26-20-9-5-4-8-19(17)20/h1-9,14-16,26H,10-13H2,(H,25,31)(H,27,30).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide?
5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51998612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).