N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C13H24N4O — CID 119583409

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)C(C)CN
InChIInChI=1S/C13H24N4O/c1-9(8-14)16(4)13(18)7-6-12-10(2)15-17(5)11(12)3/h9H,6-8,14H2,1-5H3
InChIKeyWMBFJLMBSMUZTR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.78
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 119583409) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID119583409
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)C(C)CN
InChIInChI=1S/C13H24N4O/c1-9(8-14)16(4)13(18)7-6-12-10(2)15-17(5)11(12)3/h9H,6-8,14H2,1-5H3
InChIKeyWMBFJLMBSMUZTR-UHFFFAOYSA-N
XLogP0.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 39935160
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N,N-dimethylpropanamide
CID 45807788
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-cyclopropyl-N-propan-2-ylpropanamide
CID 53512119
N-(dicyclopropylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780711
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 72004624
N-(1-methyl-2-oxo-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 72014460
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
N~3~-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide
CID 72920322
N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669809
3,5-Diethyl-1-methyl-N-(propan-2-YL)-1H-pyrazole-4-carboxamide
CID 42669892

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 119583409) is N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is WMBFJLMBSMUZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(8-14)16(4)13(18)7-6-12-10(2)15-17(5)11(12)3/h9H,6-8,14H2,1-5H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 252.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 119583409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).