[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C18H28N4O2 — CID 70751403

IUPAC[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)n(C)n1
InChIInChI=1S/C18H28N4O2/c1-13(2)15-12-16(20(3)19-15)18(24)22-10-6-14(7-11-22)17(23)21-8-4-5-9-21/h12-14H,4-11H2,1-3H3
InChIKeyUYMNFOWQYBHCQZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.02
Rot. Bonds3

About [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 70751403) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID70751403
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)n(C)n1
InChIInChI=1S/C18H28N4O2/c1-13(2)15-12-16(20(3)19-15)18(24)22-10-6-14(7-11-22)17(23)21-8-4-5-9-21/h12-14H,4-11H2,1-3H3
InChIKeyUYMNFOWQYBHCQZ-UHFFFAOYSA-N
XLogP2.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone 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

[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 96576599
[4-(4-chlorophenoxy)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 67168780
[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70776396
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 125161347
[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55740621
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 51872023
(1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 96577527
(1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 96577528
(1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 71982505
[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 71973410

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 70751403) is [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is CC(C)c1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)n(C)n1.
What is the InChIKey of [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UYMNFOWQYBHCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)15-12-16(20(3)19-15)18(24)22-10-6-14(7-11-22)17(23)21-8-4-5-9-21/h12-14H,4-11H2,1-3H3.
What are the key properties of [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 332.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70751403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).