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

C19H21N5O2 — CID 166186565

IUPACN-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccnn1CC1CCCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H21N5O2/c25-18-15-9-5-4-8-14(15)17(22-23-18)19(26)21-16-10-11-20-24(16)12-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,26)(H,23,25)
InChIKeyGELKLCLCGKAMHB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds4

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

N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 166186565) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID166186565
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccnn1CC1CCCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H21N5O2/c25-18-15-9-5-4-8-14(15)17(22-23-18)19(26)21-16-10-11-20-24(16)12-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,26)(H,23,25)
InChIKeyGELKLCLCGKAMHB-UHFFFAOYSA-N
XLogP2.95
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
CID 83202693
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785238
4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide
CID 71564585
N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119591824
4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 71935198
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 60968085
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 60507692

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide (CID 166186565) is N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(Nc1ccnn1CC1CCCCC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is GELKLCLCGKAMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18-15-9-5-4-8-14(15)17(22-23-18)19(26)21-16-10-11-20-24(16)12-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,26)(H,23,25).
What are the key properties of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 166186565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).