4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide

C18H14N6O2 — CID 47029005

IUPAC4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H14N6O2/c25-17-14-7-2-1-6-13(14)15(22-23-17)18(26)20-11-12-5-3-8-19-16(12)24-10-4-9-21-24/h1-10H,11H2,(H,20,26)(H,23,25)
InChIKeyALADNXSDMLEFJT-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.43
Rot. Bonds4

About 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide

4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide (PubChem CID 47029005) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide
PubChem CID47029005
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H14N6O2/c25-17-14-7-2-1-6-13(14)15(22-23-17)18(26)20-11-12-5-3-8-19-16(12)24-10-4-9-21-24/h1-10H,11H2,(H,20,26)(H,23,25)
InChIKeyALADNXSDMLEFJT-UHFFFAOYSA-N
XLogP1.43
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24610550
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 9143979
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
methyl 2,4-dimethyl-5-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 31968120
(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94172494
5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 55653064
(3R)-1-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 31926300
(2S,3R)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38431207
N-[(4-nitrophenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52666788

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide (CID 47029005) is 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide is O=C(NCc1cccnc1-n1cccn1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide?
The InChIKey is ALADNXSDMLEFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-17-14-7-2-1-6-13(14)15(22-23-17)18(26)20-11-12-5-3-8-19-16(12)24-10-4-9-21-24/h1-10H,11H2,(H,20,26)(H,23,25).
What are the key properties of 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide?
4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 47029005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).