N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide

C13H19N5O — CID 19569842

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1nn(C)cc1CNC(=O)CCn1nccc1C
InChIInChI=1S/C13H19N5O/c1-10-4-6-15-18(10)7-5-13(19)14-8-12-9-17(3)16-11(12)2/h4,6,9H,5,7-8H2,1-3H3,(H,14,19)
InChIKeyWTKHYDALJKSQTD-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.94
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19569842) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID19569842
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1nn(C)cc1CNC(=O)CCn1nccc1C
InChIInChI=1S/C13H19N5O/c1-10-4-6-15-18(10)7-5-13(19)14-8-12-9-17(3)16-11(12)2/h4,6,9H,5,7-8H2,1-3H3,(H,14,19)
InChIKeyWTKHYDALJKSQTD-UHFFFAOYSA-N
XLogP0.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 112668674
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-(2-methoxyethyl)-3-(5-methylpyrazol-1-yl)propanamide
CID 19569997
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19519400
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492095
N-(furan-2-ylmethyl)-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570005
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19556244

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide (CID 19569842) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1nn(C)cc1CNC(=O)CCn1nccc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is WTKHYDALJKSQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-4-6-15-18(10)7-5-13(19)14-8-12-9-17(3)16-11(12)2/h4,6,9H,5,7-8H2,1-3H3,(H,14,19).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 261.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19569842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).