4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide

C16H21N7O3 — CID 165415434

IUPAC4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C
InChIInChI=1S/C16H21N7O3/c1-4-17-14(24)13-11(9-19-22(13)3)20-15(25)12-10(8-18-21(12)2)16(26)23-6-5-7-23/h8-9H,4-7H2,1-3H3,(H,17,24)(H,20,25)
InChIKeyAEUIMCCEGQMKHX-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.00
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415434) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415434
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C
InChIInChI=1S/C16H21N7O3/c1-4-17-14(24)13-11(9-19-22(13)3)20-15(25)12-10(8-18-21(12)2)16(26)23-6-5-7-23/h8-9H,4-7H2,1-3H3,(H,17,24)(H,20,25)
InChIKeyAEUIMCCEGQMKHX-UHFFFAOYSA-N
XLogP0.00
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide (CID 165415434) is 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide is CCNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is AEUIMCCEGQMKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-4-17-14(24)13-11(9-19-22(13)3)20-15(25)12-10(8-18-21(12)2)16(26)23-6-5-7-23/h8-9H,4-7H2,1-3H3,(H,17,24)(H,20,25).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).