1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea

C13H17N5O — CID 122274541

IUPAC1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
SMILESCN(C)C(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C13H17N5O/c1-17(2)13(19)15-7-10-4-5-12(14-6-10)11-8-16-18(3)9-11/h4-6,8-9H,7H2,1-3H3,(H,15,19)
InChIKeyWXOGFAAPPKRGRC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.25
Rot. Bonds3

About 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea

1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea (PubChem CID 122274541) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
PubChem CID122274541
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
SMILESCN(C)C(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C13H17N5O/c1-17(2)13(19)15-7-10-4-5-12(14-6-10)11-8-16-18(3)9-11/h4-6,8-9H,7H2,1-3H3,(H,15,19)
InChIKeyWXOGFAAPPKRGRC-UHFFFAOYSA-N
XLogP1.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274308
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 122274332
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 122274513
3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide
CID 122274377
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
CID 122274631

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea (CID 122274541) is 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea is CN(C)C(=O)NCc1ccc(-c2cnn(C)c2)nc1.
What is the InChIKey of 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
The InChIKey is WXOGFAAPPKRGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)13(19)15-7-10-4-5-12(14-6-10)11-8-16-18(3)9-11/h4-6,8-9H,7H2,1-3H3,(H,15,19).
What are the key properties of 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea?
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea has a molecular weight of 259.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 122274541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).