4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide

C15H19N5O4 — CID 2954124

IUPAC4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C(N)=O)n1
InChIInChI=1S/C15H19N5O4/c1-4-20-8-10(13(19-20)14(16)21)18-15(22)17-9-5-6-11(23-2)12(7-9)24-3/h5-8H,4H2,1-3H3,(H2,16,21)(H2,17,18,22)
InChIKeyVUKIPRLOUUZGFG-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.66
Rot. Bonds6

About 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide

4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide (PubChem CID 2954124) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide
PubChem CID2954124
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C(N)=O)n1
InChIInChI=1S/C15H19N5O4/c1-4-20-8-10(13(19-20)14(16)21)18-15(22)17-9-5-6-11(23-2)12(7-9)24-3/h5-8H,4H2,1-3H3,(H2,16,21)(H2,17,18,22)
InChIKeyVUKIPRLOUUZGFG-UHFFFAOYSA-N
XLogP1.66
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 11837959
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-nitro-1H-pyrazole-3-carboxamide
CID 5296155
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 5296270
4-bromo-N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 708257
1H-Pyrazole-5-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-
CID 832016
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
4-Chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511740
N-(4-Methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 623858
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4464934
4-({[(3,4-dimethoxyphenyl)amino]carbonothioyl}amino)-1-ethyl-1H-pyrazole-5-carboxamide
CID 970297
4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide
CID 978066
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 5295506

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide (CID 2954124) is 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C(N)=O)n1.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is VUKIPRLOUUZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-4-20-8-10(13(19-20)14(16)21)18-15(22)17-9-5-6-11(23-2)12(7-9)24-3/h5-8H,4H2,1-3H3,(H2,16,21)(H2,17,18,22).
What are the key properties of 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide?
4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)carbamoylamino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 2954124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).