(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone

C18H25N5O2 — CID 95125513

IUPAC(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)c1C
InChIInChI=1S/C18H25N5O2/c1-4-8-23-13(2)15(11-20-23)18(25)22-9-5-6-14(12-22)16(24)17-19-7-10-21(17)3/h7,10-11,14H,4-6,8-9,12H2,1-3H3/t14-/m0/s1
InChIKeyCLFVGXWNZPDOGE-AWEZNQCLSA-N
MW343.43 g/mol
LogP2.07
Rot. Bonds5

About (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone

(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 95125513) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
PubChem CID95125513
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)c1C
InChIInChI=1S/C18H25N5O2/c1-4-8-23-13(2)15(11-20-23)18(25)22-9-5-6-14(12-22)16(24)17-19-7-10-21(17)3/h7,10-11,14H,4-6,8-9,12H2,1-3H3/t14-/m0/s1
InChIKeyCLFVGXWNZPDOGE-AWEZNQCLSA-N
XLogP2.07
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 97153259
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone
CID 96578185
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 45189605
[1-[1-(2-cyclohexylethyl)triazole-4-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 45171696
[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 97133362
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543
4,6-dimethyl-1-[2-[(3S)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 96575005
[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137339717

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone (CID 95125513) is (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone is CCCn1ncc(C(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)c1C.
What is the InChIKey of (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is CLFVGXWNZPDOGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-8-23-13(2)15(11-20-23)18(25)22-9-5-6-14(12-22)16(24)17-19-7-10-21(17)3/h7,10-11,14H,4-6,8-9,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone?
(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 95125513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).