2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

C19H29N7O — CID 70731934

IUPAC2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)c1
InChIInChI=1S/C19H29N7O/c1-15-11-20-26(12-15)14-18(27)25-9-5-16(6-10-25)19-22-21-17(23(19)2)13-24-7-3-4-8-24/h11-12,16H,3-10,13-14H2,1-2H3
InChIKeyYNOLIUCKWRXRBL-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.32
Rot. Bonds5

About 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 70731934) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID70731934
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)c1
InChIInChI=1S/C19H29N7O/c1-15-11-20-26(12-15)14-18(27)25-9-5-16(6-10-25)19-22-21-17(23(19)2)13-24-7-3-4-8-24/h11-12,16H,3-10,13-14H2,1-2H3
InChIKeyYNOLIUCKWRXRBL-UHFFFAOYSA-N
XLogP1.32
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72872754
[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-cyclopropylmethanone
CID 72907262
cycloheptyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70750964
1-[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
CID 72916711
1-[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pentan-1-one
CID 72864159
4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 70753601
[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 72920446
[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(5-methyl-1,3-thiazol-4-yl)methanone
CID 72911209
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 95889375
cyclopropyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70766585
1-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72870073
(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72917230

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 70731934) is 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is Cc1cnn(CC(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is YNOLIUCKWRXRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-15-11-20-26(12-15)14-18(27)25-9-5-16(6-10-25)19-22-21-17(23(19)2)13-24-7-3-4-8-24/h11-12,16H,3-10,13-14H2,1-2H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 371.49 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-1-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70731934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).