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

C18H22N4O2 — CID 108746029

IUPAC5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC1
InChIInChI=1S/C18H22N4O2/c1-3-21(4-2)18(24)15-12-19-22(14-8-6-5-7-9-14)16(15)20-17(23)13-10-11-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,23)
InChIKeyPWIWJDGODRAPHG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds6

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

5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108746029) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
PubChem CID108746029
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC1
InChIInChI=1S/C18H22N4O2/c1-3-21(4-2)18(24)15-12-19-22(14-8-6-5-7-9-14)16(15)20-17(23)13-10-11-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,23)
InChIKeyPWIWJDGODRAPHG-UHFFFAOYSA-N
XLogP2.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108783809
N,N-diethyl-5-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108746115
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
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-5-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxamide
CID 108801275
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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide (CID 108746029) is 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)C1CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is PWIWJDGODRAPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-21(4-2)18(24)15-12-19-22(14-8-6-5-7-9-14)16(15)20-17(23)13-10-11-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,23).
What are the key properties of 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108746029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).