N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide

C12H15N5O — CID 121112452

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C12H15N5O/c1-4-11(18)15-10-6-13-12(14-7-10)17-9(3)5-8(2)16-17/h5-7H,4H2,1-3H3,(H,15,18)
InChIKeyAHFXNBBSBFQLSP-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.63
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide (PubChem CID 121112452) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
PubChem CID121112452
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C12H15N5O/c1-4-11(18)15-10-6-13-12(14-7-10)17-9(3)5-8(2)16-17/h5-7H,4H2,1-3H3,(H,15,18)
InChIKeyAHFXNBBSBFQLSP-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
CID 122300554
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122300571
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300441
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122300477
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide
CID 122300536
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122300559
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122300497
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxypyridine-4-carboxamide
CID 122300568

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide (CID 121112452) is N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide is CCC(=O)Nc1cnc(-n2nc(C)cc2C)nc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide?
The InChIKey is AHFXNBBSBFQLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-4-11(18)15-10-6-13-12(14-7-10)17-9(3)5-8(2)16-17/h5-7H,4H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide has a molecular weight of 245.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 121112452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).