[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C19H26N6O2 — CID 136520567

IUPAC[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C19H26N6O2/c26-14-13-25-17(5-8-20-25)15-6-11-24(12-7-15)19(27)16-3-4-18(22-21-16)23-9-1-2-10-23/h3-5,8,15,26H,1-2,6-7,9-14H2
InChIKeyYFJXMIKJWZGKCR-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.29
Rot. Bonds5

About [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 136520567) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID136520567
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCCC2)nn1)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C19H26N6O2/c26-14-13-25-17(5-8-20-25)15-6-11-24(12-7-15)19(27)16-3-4-18(22-21-16)23-9-1-2-10-23/h3-5,8,15,26H,1-2,6-7,9-14H2
InChIKeyYFJXMIKJWZGKCR-UHFFFAOYSA-N
XLogP1.29
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 119647808
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 154793910
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 75443653
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027865
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95759732
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
(3-ethynylpiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 126821251
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 136520567) is [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCCC2)nn1)N1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is YFJXMIKJWZGKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-14-13-25-17(5-8-20-25)15-6-11-24(12-7-15)19(27)16-3-4-18(22-21-16)23-9-1-2-10-23/h3-5,8,15,26H,1-2,6-7,9-14H2.
What are the key properties of [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 370.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 136520567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).