N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide

C13H24N4O — CID 43224083

IUPACN-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
SMILESCCCNC(=O)C(C)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O/c1-6-7-14-13(18)10(3)15-8-12-9(2)16-17(5)11(12)4/h10,15H,6-8H2,1-5H3,(H,14,18)
InChIKeyPWGNMRMQWCKQGY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.04
Rot. Bonds6

About N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide

N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide (PubChem CID 43224083) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
PubChem CID43224083
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
SMILESCCCNC(=O)C(C)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O/c1-6-7-14-13(18)10(3)15-8-12-9(2)16-17(5)11(12)4/h10,15H,6-8H2,1-5H3,(H,14,18)
InChIKeyPWGNMRMQWCKQGY-UHFFFAOYSA-N
XLogP1.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
CID 39891339
1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063
5-hydroxy-N-isopropyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 46998021
2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 50975736
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-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
N-cyclopentyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 73951416
2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide
CID 97405033
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide (CID 43224083) is N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide is CCCNC(=O)C(C)NCc1c(C)nn(C)c1C.
What is the InChIKey of N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is PWGNMRMQWCKQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-7-14-13(18)10(3)15-8-12-9(2)16-17(5)11(12)4/h10,15H,6-8H2,1-5H3,(H,14,18).
What are the key properties of N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 43224083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).