N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

C16H25N5O2 — CID 91785657

IUPACN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCc1nn(C(C)C)c(C)c1CNC(=O)CCC1=NNC(=O)CC1
InChIInChI=1S/C16H25N5O2/c1-10(2)21-12(4)14(11(3)20-21)9-17-15(22)7-5-13-6-8-16(23)19-18-13/h10H,5-9H2,1-4H3,(H,17,22)(H,19,23)
InChIKeySZRIMWHGBZASSA-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.74
Rot. Bonds6

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (PubChem CID 91785657) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
PubChem CID91785657
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESCc1nn(C(C)C)c(C)c1CNC(=O)CCC1=NNC(=O)CC1
InChIInChI=1S/C16H25N5O2/c1-10(2)21-12(4)14(11(3)20-21)9-17-15(22)7-5-13-6-8-16(23)19-18-13/h10H,5-9H2,1-4H3,(H,17,22)(H,19,23)
InChIKeySZRIMWHGBZASSA-UHFFFAOYSA-N
XLogP1.74
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (CID 91785657) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is Cc1nn(C(C)C)c(C)c1CNC(=O)CCC1=NNC(=O)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The InChIKey is SZRIMWHGBZASSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-10(2)21-12(4)14(11(3)20-21)9-17-15(22)7-5-13-6-8-16(23)19-18-13/h10H,5-9H2,1-4H3,(H,17,22)(H,19,23).
What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide has a molecular weight of 319.41 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 91785657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).