1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide

C23H40N6O — CID 19270531

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)c1ccn(Cn2nc(C)cc2C)n1
InChIInChI=1S/C23H40N6O/c1-6-8-10-13-27(14-11-9-7-2)17-20(4)24-23(30)22-12-15-28(26-22)18-29-21(5)16-19(3)25-29/h12,15-16,20H,6-11,13-14,17-18H2,1-5H3,(H,24,30)
InChIKeyXDLMAAQIQHJGNJ-UHFFFAOYSA-N
MW416.61 g/mol
LogP4.00
Rot. Bonds14

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide

1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide (PubChem CID 19270531) has the molecular formula C23H40N6O and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
PubChem CID19270531
Molecular FormulaC23H40N6O
Molecular Weight416.61 g/mol
Exact Mass416.33
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)c1ccn(Cn2nc(C)cc2C)n1
InChIInChI=1S/C23H40N6O/c1-6-8-10-13-27(14-11-9-7-2)17-20(4)24-23(30)22-12-15-28(26-22)18-29-21(5)16-19(3)25-29/h12,15-16,20H,6-11,13-14,17-18H2,1-5H3,(H,24,30)
InChIKeyXDLMAAQIQHJGNJ-UHFFFAOYSA-N
XLogP4.00
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19270593
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502162
methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
CID 102533991
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide
CID 19270518
N-(2,5-dimethylphenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270525
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19270685
methyl 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]acetate
CID 19270589
N-[1-(dipentylamino)propan-2-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521888
N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 19475353
N-(4-chloro-2-nitrophenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270474
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278608

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide (CID 19270531) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide is CCCCCN(CCCCC)CC(C)NC(=O)c1ccn(Cn2nc(C)cc2C)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is XDLMAAQIQHJGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N6O/c1-6-8-10-13-27(14-11-9-7-2)17-20(4)24-23(30)22-12-15-28(26-22)18-29-21(5)16-19(3)25-29/h12,15-16,20H,6-11,13-14,17-18H2,1-5H3,(H,24,30).
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 416.61 g/mol, XLogP of 4.00, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19270531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).