5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide

C21H29N5O2 — CID 108783809

IUPAC5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)NC1CCCCC1
InChIInChI=1S/C21H29N5O2/c1-3-25(4-2)20(27)18-15-22-26(17-13-9-6-10-14-17)19(18)24-21(28)23-16-11-7-5-8-12-16/h6,9-10,13-16H,3-5,7-8,11-12H2,1-2H3,(H2,23,24,28)
InChIKeyQOMBZGDICKFMBP-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.81
Rot. Bonds6

About 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide

5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108783809) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
PubChem CID108783809
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)NC1CCCCC1
InChIInChI=1S/C21H29N5O2/c1-3-25(4-2)20(27)18-15-22-26(17-13-9-6-10-14-17)19(18)24-21(28)23-16-11-7-5-8-12-16/h6,9-10,13-16H,3-5,7-8,11-12H2,1-2H3,(H2,23,24,28)
InChIKeyQOMBZGDICKFMBP-UHFFFAOYSA-N
XLogP3.81
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768353

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide (CID 108783809) is 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is QOMBZGDICKFMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-25(4-2)20(27)18-15-22-26(17-13-9-6-10-14-17)19(18)24-21(28)23-16-11-7-5-8-12-16/h6,9-10,13-16H,3-5,7-8,11-12H2,1-2H3,(H2,23,24,28).
What are the key properties of 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108783809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).