2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one

C14H19N5O — CID 126934442

IUPAC2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NCc2cn[nH]c2)CC1
InChIInChI=1S/C14H19N5O/c20-14-2-1-7-18-19(14)13-5-3-12(4-6-13)15-8-11-9-16-17-10-11/h1-2,7,9-10,12-13,15H,3-6,8H2,(H,16,17)
InChIKeyVRLLVBCIQSAZMQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.24
Rot. Bonds4

About 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one

2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934442) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934442
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NCc2cn[nH]c2)CC1
InChIInChI=1S/C14H19N5O/c20-14-2-1-7-18-19(14)13-5-3-12(4-6-13)15-8-11-9-16-17-10-11/h1-2,7,9-10,12-13,15H,3-6,8H2,(H,16,17)
InChIKeyVRLLVBCIQSAZMQ-UHFFFAOYSA-N
XLogP1.24
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934445
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934402
2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934433
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934368
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
CID 126934355
2-[4-(1-pyridin-3-ylethylamino)cyclohexyl]pyridazin-3-one
CID 126934421
N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 103981696
1,1-dioxo-N-(1H-pyrazol-4-ylmethyl)thian-3-amine
CID 63924406
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126934326
2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934386
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one (CID 126934442) is 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(NCc2cn[nH]c2)CC1.
What is the InChIKey of 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is VRLLVBCIQSAZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c20-14-2-1-7-18-19(14)13-5-3-12(4-6-13)15-8-11-9-16-17-10-11/h1-2,7,9-10,12-13,15H,3-6,8H2,(H,16,17).
What are the key properties of 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).