3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide

C18H21N5O — CID 119059594

IUPAC3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1
InChIInChI=1S/C18H21N5O/c1-4-17(16-10-20-23(3)12-16)21-18(24)14-7-5-6-13(8-14)15-9-19-22(2)11-15/h5-12,17H,4H2,1-3H3,(H,21,24)
InChIKeyADZDBOHSTLPLTH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.70
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide

3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 119059594) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID119059594
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1
InChIInChI=1S/C18H21N5O/c1-4-17(16-10-20-23(3)12-16)21-18(24)14-7-5-6-13(8-14)15-9-19-22(2)11-15/h5-12,17H,4H2,1-3H3,(H,21,24)
InChIKeyADZDBOHSTLPLTH-UHFFFAOYSA-N
XLogP2.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119069701
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-[1-[3-[4-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]phenyl]propyl]isoquinoline-6-carboxamide
CID 135141309
N-[1-(1-methylpyrazol-4-yl)propyl]-4-[6-(propan-2-ylamino)pyrimidin-4-yl]benzamide
CID 121497996
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
CID 59603987
3-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 122560909
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 119073913
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide (CID 119059594) is 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide is CCC(NC(=O)c1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is ADZDBOHSTLPLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-17(16-10-20-23(3)12-16)21-18(24)14-7-5-6-13(8-14)15-9-19-22(2)11-15/h5-12,17H,4H2,1-3H3,(H,21,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide?
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 119059594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).