N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide

C21H24N6O2 — CID 139558759

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide
SMILESC=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)nn2)CC1
InChIInChI=1S/C21H24N6O2/c1-3-20(28)27-10-8-15(9-11-27)17-7-6-16(23-24-17)13(2)21(29)22-19-12-18(25-26-19)14-4-5-14/h3,6-8,12-14H,1,4-5,9-11H2,2H3,(H2,22,25,26,29)
InChIKeyCPJDFCWIHWCVLQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.62
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide (PubChem CID 139558759) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide
PubChem CID139558759
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide
SMILESC=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)nn2)CC1
InChIInChI=1S/C21H24N6O2/c1-3-20(28)27-10-8-15(9-11-27)17-7-6-16(23-24-17)13(2)21(29)22-19-12-18(25-26-19)14-4-5-14/h3,6-8,12-14H,1,4-5,9-11H2,2H3,(H2,22,25,26,29)
InChIKeyCPJDFCWIHWCVLQ-UHFFFAOYSA-N
XLogP2.62
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide
CID 139558785
2-[4-[1-(4-bromobut-2-enoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
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CID 134562615
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide
CID 139558774
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
CID 155168097
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide
CID 139572066
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide
CID 155168084
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)propanamide
CID 169245199
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330964
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
CID 153234256

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide (CID 139558759) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide is C=CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)nn2)CC1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide?
The InChIKey is CPJDFCWIHWCVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-3-20(28)27-10-8-15(9-11-27)17-7-6-16(23-24-17)13(2)21(29)22-19-12-18(25-26-19)14-4-5-14/h3,6-8,12-14H,1,4-5,9-11H2,2H3,(H2,22,25,26,29).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide is sourced from PubChem (CID 139558759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).