1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide

C22H29N5O — CID 78885955

IUPAC1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)Cn2nc(C)cc2C)cnn1Cc1ccccc1
InChIInChI=1S/C22H29N5O/c1-5-21-20(13-24-27(21)15-19-9-7-6-8-10-19)22(28)23-12-16(2)14-26-18(4)11-17(3)25-26/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,23,28)
InChIKeySWSVVLDKVKOJFI-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.37
Rot. Bonds8

About 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide

1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 78885955) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide
PubChem CID78885955
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)Cn2nc(C)cc2C)cnn1Cc1ccccc1
InChIInChI=1S/C22H29N5O/c1-5-21-20(13-24-27(21)15-19-9-7-6-8-10-19)22(28)23-12-16(2)14-26-18(4)11-17(3)25-26/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,23,28)
InChIKeySWSVVLDKVKOJFI-UHFFFAOYSA-N
XLogP3.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide
CID 94732187

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide (CID 78885955) is 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NCC(C)Cn2nc(C)cc2C)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is SWSVVLDKVKOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-5-21-20(13-24-27(21)15-19-9-7-6-8-10-19)22(28)23-12-16(2)14-26-18(4)11-17(3)25-26/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,23,28).
What are the key properties of 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78885955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).