N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide

C11H17N3O2 — CID 573814

IUPACN-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(C)nn(C(=O)CC)c1C
InChIInChI=1S/C11H17N3O2/c1-5-9(15)12-11-7(3)13-14(8(11)4)10(16)6-2/h5-6H2,1-4H3,(H,12,15)
InChIKeyNFAOTCNRWDCIRV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.90
Rot. Bonds3

About N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide

N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide (PubChem CID 573814) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide
PubChem CID573814
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(C)nn(C(=O)CC)c1C
InChIInChI=1S/C11H17N3O2/c1-5-9(15)12-11-7(3)13-14(8(11)4)10(16)6-2/h5-6H2,1-4H3,(H,12,15)
InChIKeyNFAOTCNRWDCIRV-UHFFFAOYSA-N
XLogP1.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide (CID 573814) is N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide is CCC(=O)Nc1c(C)nn(C(=O)CC)c1C.
What is the InChIKey of N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide?
The InChIKey is NFAOTCNRWDCIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5-9(15)12-11-7(3)13-14(8(11)4)10(16)6-2/h5-6H2,1-4H3,(H,12,15).
What are the key properties of N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide?
N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide has a molecular weight of 223.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propanoylpyrazol-4-yl)propanamide is sourced from PubChem (CID 573814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).