N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide

C13H17N5O — CID 131905145

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1cc(C)nc(CNC(=O)CCc2cn[nH]c2)n1
InChIInChI=1S/C13H17N5O/c1-9-5-10(2)18-12(17-9)8-14-13(19)4-3-11-6-15-16-7-11/h5-7H,3-4,8H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyPKNAVZCOEURMLP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.07
Rot. Bonds5

About N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 131905145) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID131905145
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1cc(C)nc(CNC(=O)CCc2cn[nH]c2)n1
InChIInChI=1S/C13H17N5O/c1-9-5-10(2)18-12(17-9)8-14-13(19)4-3-11-6-15-16-7-11/h5-7H,3-4,8H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyPKNAVZCOEURMLP-UHFFFAOYSA-N
XLogP1.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131890548
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131919090
3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755620
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125446001
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121137428
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 42291769
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
CID 54897263
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72864598
N-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 159166620
N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 124753193
3-(1H-pyrazol-4-yl)propanamide
CID 22405803

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide (CID 131905145) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide is Cc1cc(C)nc(CNC(=O)CCc2cn[nH]c2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is PKNAVZCOEURMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-5-10(2)18-12(17-9)8-14-13(19)4-3-11-6-15-16-7-11/h5-7H,3-4,8H2,1-2H3,(H,14,19)(H,15,16).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 131905145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).