5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide

C18H25N7O — CID 42519717

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(CN(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)[nH]n1
InChIInChI=1S/C18H25N7O/c1-5-6-14-8-15(20-19-14)10-24(4)18(26)17-9-16(21-22-17)11-25-13(3)7-12(2)23-25/h7-9H,5-6,10-11H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyRYOMIQYXWQIDOB-UHFFFAOYSA-N
MW355.45 g/mol
LogP2.22
Rot. Bonds7

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42519717) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42519717
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(CN(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)[nH]n1
InChIInChI=1S/C18H25N7O/c1-5-6-14-8-15(20-19-14)10-24(4)18(26)17-9-16(21-22-17)11-25-13(3)7-12(2)23-25/h7-9H,5-6,10-11H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyRYOMIQYXWQIDOB-UHFFFAOYSA-N
XLogP2.22
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 42515322
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
CID 42510788
5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56758151
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 56757941
ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 45213629
ethyl (3R)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 42529647
4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one
CID 56744775
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide
CID 90651231
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 49024423
4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 77097945
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 42098177

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42519717) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide is CCCc1cc(CN(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)[nH]n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RYOMIQYXWQIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-5-6-14-8-15(20-19-14)10-24(4)18(26)17-9-16(21-22-17)11-25-13(3)7-12(2)23-25/h7-9H,5-6,10-11H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42519717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).