N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C17H23N5O2 — CID 56826864

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1C
InChIInChI=1S/C17H23N5O2/c1-10-11(2)19-22-17(24)15(10)16(23)18-14-9-13(20-21-14)8-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,22,24)(H2,18,20,21,23)
InChIKeyKINKWGHDMZGBFN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.48
Rot. Bonds4

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 56826864) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID56826864
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1C
InChIInChI=1S/C17H23N5O2/c1-10-11(2)19-22-17(24)15(10)16(23)18-14-9-13(20-21-14)8-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,22,24)(H2,18,20,21,23)
InChIKeyKINKWGHDMZGBFN-UHFFFAOYSA-N
XLogP2.48
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 56826864) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1C.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is KINKWGHDMZGBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-11(2)19-22-17(24)15(10)16(23)18-14-9-13(20-21-14)8-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,22,24)(H2,18,20,21,23).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 56826864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).