N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide

C13H19N5O — CID 119063062

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)C(C)n1ccnc1C
InChIInChI=1S/C13H19N5O/c1-8-12(9(2)17-16-8)7-15-13(19)10(3)18-6-5-14-11(18)4/h5-6,10H,7H2,1-4H3,(H,15,19)(H,16,17)
InChIKeyWSPUJTXRTJTWRI-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.41
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 119063062) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide
PubChem CID119063062
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1n[nH]c(C)c1CNC(=O)C(C)n1ccnc1C
InChIInChI=1S/C13H19N5O/c1-8-12(9(2)17-16-8)7-15-13(19)10(3)18-6-5-14-11(18)4/h5-6,10H,7H2,1-4H3,(H,15,19)(H,16,17)
InChIKeyWSPUJTXRTJTWRI-UHFFFAOYSA-N
XLogP1.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119058465
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 110443001
2-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 131925368
N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide
CID 55239400
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 95226094
N-[2-(azepan-1-yl)ethyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119069534
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126427659
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207
N-[[1-(methoxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119071530
(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide
CID 97148279
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 56750539

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide (CID 119063062) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide is Cc1n[nH]c(C)c1CNC(=O)C(C)n1ccnc1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is WSPUJTXRTJTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-12(9(2)17-16-8)7-15-13(19)10(3)18-6-5-14-11(18)4/h5-6,10H,7H2,1-4H3,(H,15,19)(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 261.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 119063062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).