N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide

C20H21N5O2 — CID 108746061

IUPACN-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccn1
InChIInChI=1S/C20H21N5O2/c1-3-24(4-2)20(27)16-14-22-25(15-10-6-5-7-11-15)18(16)23-19(26)17-12-8-9-13-21-17/h5-14H,3-4H2,1-2H3,(H,23,26)
InChIKeyIEMZFBXQYYMKDG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.00
Rot. Bonds6

About N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide

N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide (PubChem CID 108746061) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
PubChem CID108746061
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccn1
InChIInChI=1S/C20H21N5O2/c1-3-24(4-2)20(27)16-14-22-25(15-10-6-5-7-11-15)18(16)23-19(26)17-12-8-9-13-21-17/h5-14H,3-4H2,1-2H3,(H,23,26)
InChIKeyIEMZFBXQYYMKDG-UHFFFAOYSA-N
XLogP3.00
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide (CID 108746061) is N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccn1.
What is the InChIKey of N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide?
The InChIKey is IEMZFBXQYYMKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-24(4-2)20(27)16-14-22-25(15-10-6-5-7-11-15)18(16)23-19(26)17-12-8-9-13-21-17/h5-14H,3-4H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide?
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 108746061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).