1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide

C17H19N5O — CID 19280974

IUPAC1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(Cc3ccccc3C)c2)cn1
InChIInChI=1S/C17H19N5O/c1-3-21-11-15(8-18-21)17(23)20-16-9-19-22(12-16)10-14-7-5-4-6-13(14)2/h4-9,11-12H,3,10H2,1-2H3,(H,20,23)
InChIKeyBEZXGRJUOUIETL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds5

About 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide

1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide (PubChem CID 19280974) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
PubChem CID19280974
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cnn(Cc3ccccc3C)c2)cn1
InChIInChI=1S/C17H19N5O/c1-3-21-11-15(8-18-21)17(23)20-16-9-19-22(12-16)10-14-7-5-4-6-13(14)2/h4-9,11-12H,3,10H2,1-2H3,(H,20,23)
InChIKeyBEZXGRJUOUIETL-UHFFFAOYSA-N
XLogP2.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346328
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
3-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346457
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500803

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide (CID 19280974) is 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cnn(Cc3ccccc3C)c2)cn1.
What is the InChIKey of 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is BEZXGRJUOUIETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-21-11-15(8-18-21)17(23)20-16-9-19-22(12-16)10-14-7-5-4-6-13(14)2/h4-9,11-12H,3,10H2,1-2H3,(H,20,23).
What are the key properties of 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide?
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 19280974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).