(5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone

C17H28N4O — CID 171359023

IUPAC(5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC([C@H]3CCNC3)CC2)cnn1C(C)C
InChIInChI=1S/C17H28N4O/c1-12(2)21-13(3)16(11-19-21)17(22)20-8-5-14(6-9-20)15-4-7-18-10-15/h11-12,14-15,18H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyHBKHHESBYYRTOO-HNNXBMFYSA-N
MW304.44 g/mol
LogP2.23
Rot. Bonds3

About (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone

(5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone (PubChem CID 171359023) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone
PubChem CID171359023
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC([C@H]3CCNC3)CC2)cnn1C(C)C
InChIInChI=1S/C17H28N4O/c1-12(2)21-13(3)16(11-19-21)17(22)20-8-5-14(6-9-20)15-4-7-18-10-15/h11-12,14-15,18H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyHBKHHESBYYRTOO-HNNXBMFYSA-N
XLogP2.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
2-[1-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 53511115
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72874137
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
5-methyl-1-propyl-N-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazole-4-carboxamide
CID 72884873
N-{rel-(3R,4S)-4-cyclopropyl-1-[2-(methylsulfonyl)ethyl]-3-pyrrolidinyl}-1,5-dimethyl-1H-pyrazole-4-carboxamide hydrochloride
CID 72901743

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone (CID 171359023) is (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC([C@H]3CCNC3)CC2)cnn1C(C)C.
What is the InChIKey of (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone?
The InChIKey is HBKHHESBYYRTOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)21-13(3)16(11-19-21)17(22)20-8-5-14(6-9-20)15-4-7-18-10-15/h11-12,14-15,18H,4-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone?
(5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone has a molecular weight of 304.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propan-2-ylpyrazol-4-yl)-[4-[(3R)-pyrrolidin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 171359023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).