(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C19H26N6O2 — CID 110082899

IUPAC(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C19H26N6O2/c1-2-25-12-7-16(22-25)19(27)24-10-5-14(6-11-24)17-15(13-20-21-17)18(26)23-8-3-4-9-23/h7,12-14H,2-6,8-11H2,1H3,(H,20,21)
InChIKeyUKTNDSQAOFJXAA-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.88
Rot. Bonds4

About (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 110082899) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID110082899
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C19H26N6O2/c1-2-25-12-7-16(22-25)19(27)24-10-5-14(6-11-24)17-15(13-20-21-17)18(26)23-8-3-4-9-23/h7,12-14H,2-6,8-11H2,1H3,(H,20,21)
InChIKeyUKTNDSQAOFJXAA-UHFFFAOYSA-N
XLogP1.88
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
azepan-1-yl-[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110082926
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92575414
1-[4-[4-(azepane-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 92576224
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634374
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 110082899) is (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCC3)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is UKTNDSQAOFJXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-2-25-12-7-16(22-25)19(27)24-10-5-14(6-11-24)17-15(13-20-21-17)18(26)23-8-3-4-9-23/h7,12-14H,2-6,8-11H2,1H3,(H,20,21).
What are the key properties of (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 370.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110082899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).