(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C18H27N5O — CID 72866375

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCC(Cn3cc(C)cn3)CC2)c1C
InChIInChI=1S/C18H27N5O/c1-4-7-23-15(3)17(11-20-23)18(24)21-8-5-16(6-9-21)13-22-12-14(2)10-19-22/h10-12,16H,4-9,13H2,1-3H3
InChIKeyZLSZIXZMWFIXEU-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.66
Rot. Bonds5

About (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 72866375) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID72866375
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCCn1ncc(C(=O)N2CCC(Cn3cc(C)cn3)CC2)c1C
InChIInChI=1S/C18H27N5O/c1-4-7-23-15(3)17(11-20-23)18(24)21-8-5-16(6-9-21)13-22-12-14(2)10-19-22/h10-12,16H,4-9,13H2,1-3H3
InChIKeyZLSZIXZMWFIXEU-UHFFFAOYSA-N
XLogP2.66
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 97133362
(5-methyl-1-propylpyrazol-4-yl)-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 72881839
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91830233
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061
(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid
CID 97274134
[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137339717
2-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95709553
(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 97153259
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70781969
1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 72849446

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 72866375) is (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is CCCn1ncc(C(=O)N2CCC(Cn3cc(C)cn3)CC2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is ZLSZIXZMWFIXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-7-23-15(3)17(11-20-23)18(24)21-8-5-16(6-9-21)13-22-12-14(2)10-19-22/h10-12,16H,4-9,13H2,1-3H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 329.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 72866375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).